Ligand: 0LI (Ponatinib)

Total number of chains: 25
Active chains: 0
Total number of genes: 11
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 14 56.0% 8S17A
DFGout None 9 36.0% 4QRCA
None None 2 8.0% 6TU9A

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Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
STE MAP3K2 M3K2_HUMAN 9P6AA Q9Y2U5 351 617 619.0 0LI:701 Type2 Inactive DFGout 14.1431 9.8906 BBAminus -146.02, -172.59 -157.95, 116.33 -87.88, -36.33 294.81, 102.45 -88.54, 36.79 in-in in 8.4578 Saltbr-in 2.5939 HRD-in -76.59, -52.31 80.62, -19.75 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -98.17, -51.62 APE9-dihe-na -96.01, 162.48 APE8-dihe-in -81.48, 131.06 APE8-rot-out 69.69 APE67-dihe-in -67.88, -22.22 -92.28, 3.15 APE12-dist-out 20.6817 APE11-dist-out 19.1439 APE10-dist-out 14.3088 APE9-dist-out 10.4562 None None None XRAY 2.4 0.228 0.246 A 299.0 253.0 14 31 17 14 [[356, 616]] 1.0 9p6a STE_MAP3K2_HUMAN STE 1.9e-81 279.1 1.0 257.0 257.0 500 501 502 504 506 385 406 410 480 482 481 483.0 543 531 526 525 524 523 522 521 520 438 Mitogen-activated protein kinase kinase kinase 2
STE MAP3K2 M3K2_HUMAN 9P6AB Q9Y2U5 347 618 619.0 0LI:701 Type2 Inactive DFGout 13.8018 9.7559 None -145.97, -173.02 -157.2, 114.58 -90.61, 158.12 297.06, 102.49 67.12, -99.7 in-in in 8.6308 Saltbr-in 2.7273 HRD-in -74.0, -48.74 85.04, -22.17 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -168.99 APE9-dihe-na -96.92, -27.66 APE8-dihe-in -82.09, 127.1 APE8-rot-out 70.19 APE67-dihe-in -70.58, -23.59 -96.42, -0.55 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.6373 APE9-dist-out 10.7871 None None None XRAY 2.4 0.228 0.246 B 299.0 247.0 25 31 15 16 [[356, 616]] 1.0 9p6a STE_MAP3K2_HUMAN STE 1.9e-81 279.1 1.0 257.0 257.0 500 501 502 504 506 385 406 410 480 482 481 483.0 543 531 526 525 524 523 522 521 520 438 Mitogen-activated protein kinase kinase kinase 2
TKL BRAF BRAF_HUMAN 6P3DA P15056 448 721 766.0 0LI:61001 Type2 Inactive DFGout 12.35 10.9052 BBAminus -138.54, -166.92 -135.05, 80.45 -80.66, -37.84 293.17, 97.28 81.0, 10.25 in-in in 8.6648 Saltbr-in 2.9974 HRD-in -65.6, -55.77 77.59, -19.55 in-out-out SNCioo out-out ActLoopNT-out 19.9448 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, -19.82 APE9-dihe-na 76.62, -63.3 APE8-dihe-out -51.89, -23.77 APE8-rot-out 78.9 APE67-dihe-in -55.73, -23.59 -56.01, -24.35 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 12.7002 APE9-dist-out 11.8707 None None None XRAY 2.11 0.188 0.245 A 297.0 261.0 13 30 17 13 [[457, 716]] 1.0 6p3d TKL_BRAF_HUMAN TKL 5.8e-84 287.7 4.0 267.0 264.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL IRAK4 IRAK4_HUMAN 6EG9A Q9NWZ3 164 459 460.0 0LI:501 Type2 Inactive DFGout 14.0712 10.7156 None -127.45, 167.3 -138.69, 101.47 -85.85, 140.23 309.7, 100.41 -43.19, 999.0 in-out in 9.0273 Saltbr-out 6.6465 HRD-in -71.51, -48.43 70.86, -5.67 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 6.91 APE9-dihe-na 158.59, -165.8 APE8-dihe-in -114.99, 116.82 APE8-rot-in 299.55 APE67-dihe-in -67.65, -20.43 -63.19, -29.42 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 3.972 None None None XRAY 2.414 0.224 0.249 A 312.0 276.0 20 30 13 17 [[183, 456]] 1.0 6eg9 TKL_IRAK4_HUMAN TKL 4.6e-84 288.0 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 6EG9B Q9NWZ3 165 459 460.0 0LI:501 Type2 Inactive DFGout 14.2443 9.3953 None -135.81, 174.82 -152.29, 126.78 -163.75, 999.0 33.58, 60.29 999.0, 999.0 in-in in 8.9787 Saltbr-in 3.0904 HRD-in -69.81, -51.27 77.39, -7.02 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 146.5 APE9-dihe-na 95.5, 175.38 APE8-dihe-in -117.78, 118.94 APE8-rot-in 307.93 APE67-dihe-in -67.02, -18.64 -61.22, -30.24 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 3.6297 None None None XRAY 2.414 0.224 0.249 B 312.0 274.0 21 30 12 18 [[183, 456]] 1.0 6eg9 TKL_IRAK4_HUMAN TKL 4.6e-84 288.0 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL LRRK2 LRRK2_HUMAN 8U8AB Q5S007 558 2526 2527.0 0LI:2601 Type2 Inactive DFGout 14.859 10.8454 BBAminus -150.37, 144.32 -124.19, 97.68 -69.79, -11.11 321.73, 111.63 66.57, 27.33 in-out in 8.8739 Saltbr-out 3.6727 HRD-out -76.07, 95.41 -48.17, -63.17 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 177.03 APE8-dihe-in -61.6, 136.03 APE8-rot-in 305.18 APE67-dihe-in -74.33, -25.33 -56.72, -44.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 6.2972 None None None EM 3.4 999.0 999.0 B 2527.0 1705.0 29 26 13 13 [[1875, 2134]] 1.0 8u8a TKL_LRRK2_HUMAN TKL 3.8e-57 200.3 5.0 266.0 262.0 2016 2017 2018 2020 2022 1906 1920 1924 1991 1993 1992 1994.0 2055 2042 2037 2036 2035 2034 2033 2032 2031 1948 Leucine-rich repeat serine/threonine-protein kinase 2
TKL LRRK2 LRRK2_HUMAN 8U8AC Q5S007 558 2526 2527.0 0LI:2601 Type2 Inactive DFGout 14.8696 10.8459 BBAminus -150.46, 144.31 -124.23, 97.69 -69.77, -11.06 321.78, 111.5 66.48, 27.35 in-out in 8.8719 Saltbr-out 3.6608 HRD-out -76.02, 95.48 -48.33, -63.13 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 177.01 APE8-dihe-in -61.57, 135.98 APE8-rot-in 305.14 APE67-dihe-in -74.37, -25.35 -56.73, -44.17 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 6.3006 None None None EM 3.4 999.0 999.0 C 2527.0 1705.0 29 26 13 13 [[1875, 2134]] 1.0 8u8a TKL_LRRK2_HUMAN TKL 3.8e-57 200.3 5.0 266.0 262.0 2016 2017 2018 2020 2022 1906 1920 1924 1991 1993 1992 1994.0 2055 2042 2037 2036 2035 2034 2033 2032 2031 1948 Leucine-rich repeat serine/threonine-protein kinase 2
TKL RIPK2 RIPK2_HUMAN 4C8BA O43353 8 316 540.0 0LI:1000 Type2 Inactive DFGout 12.7285 8.5841 None -142.99, -175.55 -154.35, 140.4 -129.56, 999.0 290.55, 114.67 999.0, 999.0 in-in in 8.2431 Saltbr-in 2.8173 HRD-in -79.84, -58.2 64.89, 19.36 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoni APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -36.9 APE8-dihe-out -84.71, -55.98 APE8-rot-none 999.0 APE67-dihe-in -64.98, -25.64 -68.13, -16.01 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.2944 None None None XRAY 2.75 0.203 0.244 A 334.0 279.0 30 33 11 22 [[18, 292]] 1.0 4c8b TKL_RIPK2_HUMAN TKL 3.4e-73 252.4 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2
TKL RIPK2 RIPK2_HUMAN 4C8BB O43353 9 316 540.0 0LI:1000 Type2 Inactive DFGout 12.8402 8.8595 None -140.63, -176.63 -153.18, 138.54 -119.75, 999.0 285.35, 113.34 999.0, 999.0 in-in in 8.2645 Saltbr-in 2.8058 HRD-in -79.98, -59.74 66.42, 17.86 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -39.27 APE8-dihe-out -68.6, -38.75 APE8-rot-out 169.06 APE67-dihe-in -64.78, -24.38 -61.46, -15.15 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.4449 None None None XRAY 2.75 0.203 0.244 B 334.0 281.0 27 33 11 22 [[18, 292]] 1.0 4c8b TKL_RIPK2_HUMAN TKL 3.4e-73 252.4 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2
TYR DDR1 DDR1_HUMAN 3ZOSB Q08345 601 913 913.0 0LI:61000 Type2 Inactive DFGout 13.6455 9.6295 BBAminus -143.84, 178.94 -153.3, 114.42 -82.71, -15.18 287.49, 108.73 52.14, -127.46 in-in in 7.9604 Saltbr-in 2.8828 HRD-in -60.43, -59.89 83.25, -8.8 in-out-in SNCioi out-in ActLoopNT-out 17.4003 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -109.91, 133.24 APE9-dihe-in -130.81, 142.32 APE8-dihe-in -80.63, 68.61 APE8-rot-na 30.08 APE67-dihe-in -67.12, -16.99 -59.3, -31.33 APE12-dist-na 11.7194 APE11-dist-na 12.9393 APE10-dist-na 10.2231 APE9-dist-in 7.9237 None None None XRAY 1.92 0.208 0.234 B 315.0 301.0 12 30 30 0 [[610, 907]] 1.0 3zos TYR_DDR1_HUMAN TYR 1.5e-92 315.5 1.0 260.0 260.0 783 784 785 787 789 655 672 676 763 765 764 766.0 825 813 808 807 806 805 804 803 802 702 Epithelial discoidin domain-containing receptor 1
TYR DDR1 DDR1_HUMAN 3ZOSA Q08345 602 913 913.0 0LI:61000,0LI:61004 Type2,Allosteric Inactive DFGout 13.6836 9.7654 BBAminus -140.01, 179.9 -153.22, 112.84 -85.26, -13.51 285.68, 107.96 48.92, -126.09 in-in in 7.9981 Saltbr-in 2.8815 HRD-in -61.25, -58.95 80.5, -7.41 in-out-in SNCioi out-in ActLoopNT-out 17.4763 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -117.17, 140.69 APE9-dihe-in -129.43, 143.43 APE8-dihe-in -82.4, 69.11 APE8-rot-na 29.15 APE67-dihe-in -67.51, -15.14 -58.33, -33.07 APE12-dist-na 11.7075 APE11-dist-na 12.3847 APE10-dist-na 10.1712 APE9-dist-in 7.9197 None None None XRAY 1.92 0.208 0.234 A 315.0 301.0 11 30 30 0 [[610, 907]] 1.0 3zos TYR_DDR1_HUMAN TYR 1.5e-92 315.5 1.0 260.0 260.0 783 784 785 787 789 655 672 676 763 765 764 766.0 825 813 808 807 806 805 804 803 802 702 Epithelial discoidin domain-containing receptor 1
TYR FGFR1 FGFR1_HUMAN 4V04B P11362 458 765 822.0 0LI:1771 Type2 Inactive DFGout 13.974 9.8725 BBAminus -127.4, -173.98 -164.99, 120.92 -104.35, 44.71 306.97, 107.67 29.41, -12.23 in-in in 7.692 Saltbr-in 3.0147 HRD-in -72.1, -51.88 81.11, -15.75 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -102.55, 155.16 APE9-dihe-in -98.03, 109.95 APE8-dihe-out -52.12, -21.56 APE8-rot-na 329.22 APE67-dihe-in -70.06, -7.36 -58.08, -24.0 APE12-dist-na 19.5141 APE11-dist-na 20.9701 APE10-dist-na 19.2978 APE9-dist-out 11.5913 C488A,C584S None None XRAY 2.12 0.188 0.228 B 309.0 289.0 19 30 24 6 [[478, 756]] 1.0 4v04 TYR_FGFR1_HUMAN TYR 1.4e-104 354.9 1.0 260.0 260.0 640 641 642 644 646 514 531 535 620 622 621 623.0 682 670 665 664 663 662 661 660 659 562 Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 4V01A P11362 465 765 822.0 0LI:1776 Type2 Inactive DFGout 13.6478 9.6834 None -136.22, -176.63 -157.46, 111.62 -99.01, 999.0 301.26, 98.54 999.0, 999.0 in-in in 7.8519 Saltbr-in 2.8239 HRD-in -71.33, -57.3 83.26, -24.31 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -104.02, 147.14 APE9-dihe-in -94.17, 112.67 APE8-dihe-out -54.82, -21.48 APE8-rot-na 334.27 APE67-dihe-in -70.4, -11.17 -58.27, -24.17 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 11.7272 C488A,C584S None None XRAY 2.33 0.191 0.238 A 309.0 273.0 28 30 22 8 [[478, 756]] 1.0 4v01 TYR_FGFR1_HUMAN TYR 1.4e-104 354.9 1.0 260.0 260.0 640 641 642 644 646 514 531 535 620 622 621 623.0 682 670 665 664 663 662 661 660 659 562 Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 4V01B P11362 461 763 822.0 0LI:1770 Type2 Inactive DFGout 13.4764 9.083 None -140.66, -178.05 -156.06, 123.42 -117.89, 999.0 302.59, 94.37 999.0, 999.0 in-in in 7.9159 Saltbr-in 2.8067 HRD-in -63.92, -54.57 77.31, -15.23 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -101.11, 164.12 APE9-dihe-in -107.61, 109.54 APE8-dihe-out -56.39, -11.31 APE8-rot-na 332.13 APE67-dihe-in -66.82, -7.77 -66.39, -26.4 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 11.8136 C488A,C584S None None XRAY 2.33 0.191 0.238 B 309.0 275.0 28 30 22 8 [[478, 756]] 1.0 4v01 TYR_FGFR1_HUMAN TYR 1.4e-104 354.9 1.0 260.0 260.0 640 641 642 644 646 514 531 535 620 622 621 623.0 682 670 665 664 663 662 661 660 659 562 Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 4V04A P11362 463 765 822.0 0LI:1772 Type2 Inactive DFGout 14.0506 10.3941 None -127.25, -179.24 -145.47, 116.11 -167.94, 35.9 26.55, 54.39 23.93, -5.2 in-in in 7.8637 Saltbr-in 3.2056 HRD-in -65.2, -58.04 83.28, -16.96 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -102.41, 155.12 APE9-dihe-in -98.09, 110.26 APE8-dihe-out -52.77, -21.99 APE8-rot-na 329.65 APE67-dihe-in -70.41, -8.08 -56.89, -24.83 APE12-dist-na 19.6385 APE11-dist-na 21.0205 APE10-dist-na 19.3218 APE9-dist-out 11.7003 C488A,C584S None None XRAY 2.12 0.188 0.228 A 309.0 293.0 10 30 24 6 [[478, 756]] 1.0 4v04 TYR_FGFR1_HUMAN TYR 1.4e-104 354.9 1.0 260.0 260.0 640 641 642 644 646 514 531 535 620 622 621 623.0 682 670 665 664 663 662 661 660 659 562 Fibroblast growth factor receptor 1
TYR FGFR4 FGFR4_HUMAN 4UXQA P22455 452 750 802.0 0LI:1752 Type2 Inactive DFGout 13.2886 9.6881 BBAminus -132.52, -175.6 -154.98, 108.32 -101.68, -37.05 301.67, 99.59 -82.32, -172.58 in-in in 7.8131 Saltbr-in 2.7274 HRD-in -74.83, -56.93 88.13, -22.48 in-out-out SNCioo out-out ActLoopNT-out 15.96 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -78.09, 139.64 APE9-dihe-in -109.24, 95.28 APE8-dihe-out -52.11, -28.25 APE8-rot-na 327.58 APE67-dihe-in -73.35, -9.88 -60.02, -19.19 APE12-dist-na 12.2275 APE11-dist-na 12.9237 APE10-dist-na 10.1127 APE9-dist-out 11.6116 C477A None None XRAY 1.85 0.205 0.268 A 309.0 286.0 13 30 30 0 [[467, 745]] 1.0 4uxq TYR_FGFR4_HUMAN TYR 8.2e-101 342.6 1.0 261.0 261.0 629 630 631 633 635 503 520 524 609 611 610 612.0 671 659 654 653 652 651 650 649 648 551 Fibroblast growth factor receptor 4
TYR FGFR4 FGFR4_HUMAN 4TYJA P22455 447 753 802.0 0LI:60801 Type2 Inactive DFGout 13.629 9.6017 BBAminus -136.8, -177.28 -149.4, 114.79 -98.18, 9.17 298.44, 103.78 79.91, -171.4 in-in in 7.8197 Saltbr-in 2.7569 HRD-in -71.95, -55.51 84.74, -19.01 in-out-out SNCioo out-out ActLoopNT-out 19.1078 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 130.68 APE8-dihe-in -83.91, 64.17 APE8-rot-na 36.55 APE67-dihe-in -73.09, -8.81 -53.35, -41.59 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.8188 None None None XRAY 2.45 0.217 0.247 A 311.0 275.0 32 30 15 15 [[467, 745]] 1.0 4tyj TYR_FGFR4_HUMAN TYR 1.2e-100 342.0 1.0 261.0 261.0 629 630 631 633 635 503 520 524 609 611 610 612.0 671 659 654 653 652 651 650 649 648 551 Fibroblast growth factor receptor 4
TYR FGFR4 FGFR4_HUMAN 4QRCA P22455 454 750 802.0 0LI:802 Type2 Inactive DFGout 13.8479 9.4478 None -128.93, 176.89 -168.87, 140.49 58.84, 41.6 314.29, 151.03 128.95, 161.76 in-in in 7.2685 Saltbr-in 2.5447 HRD-in -73.23, -52.1 79.8, -10.52 in-out-out SNCioo out-out ActLoopNT-out 8.6625 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -79.02, 138.09 APE9-dihe-in -108.95, 92.74 APE8-dihe-out -61.85, -18.49 APE8-rot-na 333.49 APE67-dihe-in -72.31, -7.32 -59.05, -24.57 APE12-dist-na 19.5374 APE11-dist-na 21.0468 APE10-dist-na 16.8729 APE9-dist-out 12.0169 C477A,R664E None None XRAY 1.901 0.173 0.207 A 323.0 297.0 0 30 30 0 [[467, 745]] 1.0 4qrc TYR_FGFR4_HUMAN TYR 1.5e-100 341.7 1.0 261.0 261.0 629 630 631 633 635 503 520 524 609 611 610 612.0 671 659 654 653 652 651 650 649 648 551 Fibroblast growth factor receptor 4
TYR KIT KIT_HUMAN 8S17A P10721 567 931 976.0 0LI:61001 Type2 Inactive DFGout 15.4253 9.9509 BBAminus -145.25, 179.39 -143.98, 106.64 -67.34, -40.16 274.67, 96.68 58.73, -115.03 in-in in 7.749 Saltbr-in 2.6955 HRD-in -73.68, -54.05 81.88, -13.47 in-out-in SNCioi out-in ActLoopNT-out 16.3106 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -118.0, 112.95 APE9-dihe-in -124.02, 150.83 APE8-dihe-in -80.03, 74.01 APE8-rot-na 32.18 APE67-dihe-in -67.91, -14.83 -61.86, -40.28 APE12-dist-na 16.635 APE11-dist-na 13.2018 APE10-dist-na 11.5146 APE9-dist-in 7.7012 I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D None None XRAY 2.2 0.203 0.228 A 327.0 287.0 0 30 30 0 [[589, 926]] 1.0 8s17 TYR_KIT_HUMAN TYR 2.3e-104 354.3 1.0 261.0 261.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR KIT KIT_HUMAN 8S17B P10721 578 931 976.0 0LI:61001 Type2 Inactive DFGout 15.2272 9.8787 BBAminus -145.11, 172.96 -138.62, 103.76 -65.65, -38.27 276.93, 92.02 61.53, -118.4 in-in in 7.6517 Saltbr-in 2.7434 HRD-in -69.78, -55.3 82.77, -9.47 in-out-in SNCioi out-in ActLoopNT-out 16.4084 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -113.26, 116.47 APE9-dihe-in -128.18, 149.58 APE8-dihe-in -80.46, 72.63 APE8-rot-na 32.73 APE67-dihe-in -67.64, -17.39 -58.96, -38.89 APE12-dist-na 16.5047 APE11-dist-na 13.3085 APE10-dist-na 11.7177 APE9-dist-in 7.9746 I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D None None XRAY 2.2 0.203 0.228 B 327.0 276.0 0 30 30 0 [[589, 926]] 1.0 8s17 TYR_KIT_HUMAN TYR 2.3e-104 354.3 1.0 261.0 261.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR KIT KIT_HUMAN 4U0IA P10721 565 933 976.0 0LI:1001 Type2 Inactive DFGout 15.1525 9.7578 BBAminus -145.62, -174.19 -155.03, 115.98 -76.91, -26.31 285.47, 90.73 51.17, -116.44 in-in in 7.6858 Saltbr-in 2.6193 HRD-in -74.87, -53.81 79.28, -20.01 in-out-in SNCioi out-in ActLoopNT-out 16.4462 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -94.86, 120.83 APE9-dihe-in -126.16, 149.12 APE8-dihe-in -78.54, 70.26 APE8-rot-na 32.2 APE67-dihe-in -61.59, -16.21 -59.65, -43.09 APE12-dist-na 17.1926 APE11-dist-na 14.015 APE10-dist-na 12.1639 APE9-dist-in 7.6808 None None None XRAY 2.0 0.204 0.239 A 315.0 297.0 12 30 30 0 [[589, 926]] 1.0 4u0i TYR_KIT_HUMAN TYR 3.8e-102 347.0 1.0 260.0 260.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR ROR1 ROR1_HUMAN 6TU9A Q01973 460 749 937.0 0LI:801 Type1 Pseudo None 999.0 999.0 None -143.45, 175.76 -148.29, 81.04 -104.43, 119.64 999.0, 999.0 -53.65, -7.79 in-in in 8.2268 Saltbr-in 2.7255 HRD-in -69.35, -57.72 81.6, -11.35 in-out-in SNCioi out-in ActLoopNT-out 15.3953 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -88.59, 129.49 APE9-dihe-in -125.15, 133.19 APE8-dihe-in -78.4, 68.8 APE8-rot-na 36.93 APE67-dihe-in -68.17, -18.18 -55.42, -35.07 APE12-dist-na 999.0 APE11-dist-na 15.6904 APE10-dist-na 11.605 APE9-dist-in 6.9924 None None None XRAY 1.94 0.21 0.241 A 306.0 268.0 22 30 26 4 [[473, 748]] 1.0 6tu9 TYR_ROR1_HUMAN TYR 1.2e-94 322.4 2.0 260.0 259.0 632 633 634 636 638 506 523 527 612 614 613 615.0 674 662 657 656 655 654 653 652 651 553 Inactive tyrosine-protein kinase transmembrane receptor ROR1
TYR ROR1 ROR1_HUMAN 6TU9B Q01973 465 750 937.0 0LI:801 Type1 Pseudo None 999.0 999.0 None -143.03, 176.7 -144.7, 81.77 -85.65, -31.03 999.0, 999.0 92.49, -44.82 in-in in 8.2829 Saltbr-in 2.9737 HRD-in -64.86, -61.91 82.91, -9.99 in-none-in SNCini none-in ActLoopNT-none 999.0 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -100.96, 129.63 APE9-dihe-in -119.15, 127.45 APE8-dihe-in -76.72, 68.52 APE8-rot-na 33.66 APE67-dihe-in -67.05, -20.69 -57.04, -32.64 APE12-dist-na 17.0248 APE11-dist-na 15.144 APE10-dist-na 11.1966 APE9-dist-in 6.9698 None None None XRAY 1.94 0.21 0.241 B 306.0 261.0 25 30 28 2 [[473, 748]] 1.0 6tu9 TYR_ROR1_HUMAN TYR 1.2e-94 322.4 2.0 260.0 259.0 632 633 634 636 638 506 523 527 612 614 613 615.0 674 662 657 656 655 654 653 652 651 553 Inactive tyrosine-protein kinase transmembrane receptor ROR1
TYR SRC SRC_HUMAN 7OTEA P12931 261 536 536.0 0LI:601 Type2 Inactive DFGout 13.678 9.0255 BBAminus -119.79, 176.26 -136.22, 145.66 -117.56, 59.41 289.7, 90.17 173.51, 999.0 in-in in 7.8789 Saltbr-in 2.5317 HRD-in -78.56, -49.16 85.49, -24.96 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 150.65 APE8-dihe-in -61.46, 92.79 APE8-rot-na 30.48 APE67-dihe-in -70.25, -17.48 -54.65, -43.51 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.6182 None None None XRAY 2.49 0.179 0.252 A 293.0 259.0 17 29 12 17 [[270, 521]] 1.0 7ote TYR_SRC_HUMAN TYR 1.8e-94 321.9 1.0 260.0 260.0 406 407 408 410 412 298 313 317 386 388 387 389.0 447 435 430 429 428 427 426 425 424 342 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_HUMAN 7OTEB P12931 261 536 536.0 0LI:601 Type2 Inactive DFGout 14.5076 9.1805 BBAminus -149.51, 179.45 -147.71, 103.83 -80.1, -7.38 295.65, 135.68 68.38, 999.0 in-out in 8.9117 Saltbr-out 4.1347 HRD-in -81.29, -57.98 98.12, -42.77 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 148.79 APE8-dihe-in -102.78, 62.88 APE8-rot-na 39.14 APE67-dihe-in -65.77, -18.22 -41.35, -46.37 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.2979 None None None XRAY 2.49 0.179 0.252 B 293.0 259.0 17 29 12 17 [[270, 521]] 1.0 7ote TYR_SRC_HUMAN TYR 1.8e-94 321.9 1.0 260.0 260.0 406 407 408 410 412 298 313 317 386 388 387 389.0 447 435 430 429 428 427 426 425 424 342 Proto-oncogene tyrosine-protein kinase Src

Ligand: 0LI (Ponatinib)

Total number of chains: 30
Active chains: 0
Total number of genes: 12
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 19 63.3% 3IK3B
DFGout None 9 30.0% 4QRCA
None None 2 6.7% 6TU9A

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Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
TYR SRC SRC_CHICK 7WF5A P00523 257 533 533.0 0LI:601 Type2 Inactive DFGout 13.2929 8.8534 BBAminus -138.86, 178.47 -148.72, 117.06 -103.55, 7.74 290.87, 100.32 61.55, 53.93 in-in in 7.6711 Saltbr-in 2.6168 HRD-in -81.35, -59.57 92.68, -15.97 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 114.23 APE8-dihe-in -80.1, 61.84 APE8-rot-na 34.61 APE67-dihe-in -62.67, -20.24 -53.79, -38.37 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.0033 None None None XRAY 1.798 0.163 0.183 A 286.0 261.0 16 29 13 16 [[267, 518]] 1.0 7wf5 Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 7WF5B P00523 254 533 533.0 0LI:601 Type2 Inactive DFGout 13.3369 8.808 BBAminus -139.72, 178.97 -149.88, 114.3 -104.08, 8.92 292.96, 104.73 64.81, 53.74 in-in in 7.856 Saltbr-in 2.7923 HRD-in -81.76, -58.24 93.94, -19.23 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 96.23 APE8-dihe-in -81.79, 58.44 APE8-rot-na 33.89 APE67-dihe-in -61.6, -25.83 -54.2, -35.0 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.5617 None None None XRAY 1.798 0.163 0.183 B 286.0 265.0 15 29 14 15 [[267, 518]] 1.0 7wf5 Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
STE MAP3K2 M3K2_HUMAN 9P6AA Q9Y2U5 351 617 619.0 0LI:701 Type2 Inactive DFGout 14.1431 9.8906 BBAminus -146.02, -172.59 -157.95, 116.33 -87.88, -36.33 294.81, 102.45 -88.54, 36.79 in-in in 8.4578 Saltbr-in 2.5939 HRD-in -76.59, -52.31 80.62, -19.75 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -98.17, -51.62 APE9-dihe-na -96.01, 162.48 APE8-dihe-in -81.48, 131.06 APE8-rot-out 69.69 APE67-dihe-in -67.88, -22.22 -92.28, 3.15 APE12-dist-out 20.6817 APE11-dist-out 19.1439 APE10-dist-out 14.3088 APE9-dist-out 10.4562 None None None XRAY 2.4 0.228 0.246 A 299.0 253.0 14 31 17 14 [[356, 616]] 1.0 9p6a Homo sapiens STE_MAP3K2_HUMAN STE 1.9e-81 279.1 1.0 257.0 257.0 500 501 502 504 506 385 406 410 480 482 481 483.0 543 531 526 525 524 523 522 521 520 438 Mitogen-activated protein kinase kinase kinase 2
STE MAP3K2 M3K2_HUMAN 9P6AB Q9Y2U5 347 618 619.0 0LI:701 Type2 Inactive DFGout 13.8018 9.7559 None -145.97, -173.02 -157.2, 114.58 -90.61, 158.12 297.06, 102.49 67.12, -99.7 in-in in 8.6308 Saltbr-in 2.7273 HRD-in -74.0, -48.74 85.04, -22.17 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnoo APE10-dihe-na 999.0, -168.99 APE9-dihe-na -96.92, -27.66 APE8-dihe-in -82.09, 127.1 APE8-rot-out 70.19 APE67-dihe-in -70.58, -23.59 -96.42, -0.55 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 8.6373 APE9-dist-out 10.7871 None None None XRAY 2.4 0.228 0.246 B 299.0 247.0 25 31 15 16 [[356, 616]] 1.0 9p6a Homo sapiens STE_MAP3K2_HUMAN STE 1.9e-81 279.1 1.0 257.0 257.0 500 501 502 504 506 385 406 410 480 482 481 483.0 543 531 526 525 524 523 522 521 520 438 Mitogen-activated protein kinase kinase kinase 2
TKL BRAF BRAF_HUMAN 6P3DA P15056 448 721 766.0 0LI:61001 Type2 Inactive DFGout 12.35 10.9052 BBAminus -138.54, -166.92 -135.05, 80.45 -80.66, -37.84 293.17, 97.28 81.0, 10.25 in-in in 8.6648 Saltbr-in 2.9974 HRD-in -65.6, -55.77 77.59, -19.55 in-out-out SNCioo out-out ActLoopNT-out 19.9448 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnoo APE10-dihe-na 999.0, -19.82 APE9-dihe-na 76.62, -63.3 APE8-dihe-out -51.89, -23.77 APE8-rot-out 78.9 APE67-dihe-in -55.73, -23.59 -56.01, -24.35 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 12.7002 APE9-dist-out 11.8707 None None None XRAY 2.11 0.188 0.245 A 297.0 261.0 13 30 17 13 [[457, 716]] 1.0 6p3d Homo sapiens TKL_BRAF_HUMAN TKL 5.8e-84 287.7 4.0 267.0 264.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL IRAK4 IRAK4_HUMAN 6EG9A Q9NWZ3 164 459 460.0 0LI:501 Type2 Inactive DFGout 14.0712 10.7156 None -127.45, 167.3 -138.69, 101.47 -85.85, 140.23 309.7, 100.41 -43.19, 999.0 in-out in 9.0273 Saltbr-out 6.6465 HRD-in -71.51, -48.43 70.86, -5.67 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 6.91 APE9-dihe-na 158.59, -165.8 APE8-dihe-in -114.99, 116.82 APE8-rot-in 299.55 APE67-dihe-in -67.65, -20.43 -63.19, -29.42 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 3.972 None None None XRAY 2.414 0.224 0.249 A 312.0 276.0 20 30 13 17 [[183, 456]] 1.0 6eg9 Homo sapiens TKL_IRAK4_HUMAN TKL 4.6e-84 288.0 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL IRAK4 IRAK4_HUMAN 6EG9B Q9NWZ3 165 459 460.0 0LI:501 Type2 Inactive DFGout 14.2443 9.3953 None -135.81, 174.82 -152.29, 126.78 -163.75, 999.0 33.58, 60.29 999.0, 999.0 in-in in 8.9787 Saltbr-in 3.0904 HRD-in -69.81, -51.27 77.39, -7.02 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aaiii APEdist_nnni APE10-dihe-na 999.0, 146.5 APE9-dihe-na 95.5, 175.38 APE8-dihe-in -117.78, 118.94 APE8-rot-in 307.93 APE67-dihe-in -67.02, -18.64 -61.22, -30.24 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-in 3.6297 None None None XRAY 2.414 0.224 0.249 B 312.0 274.0 21 30 12 18 [[183, 456]] 1.0 6eg9 Homo sapiens TKL_IRAK4_HUMAN TKL 4.6e-84 288.0 5.0 266.0 262.0 328 329 330 332 334 213 233 237 308 310 309 311.0 369 358 353 352 351 350 349 348 347 263 Interleukin-1 receptor-associated kinase 4
TKL LRRK2 LRRK2_HUMAN 8U8AB Q5S007 558 2526 2527.0 0LI:2601 Type2 Inactive DFGout 14.859 10.8454 BBAminus -150.37, 144.32 -124.19, 97.68 -69.79, -11.11 321.73, 111.63 66.57, 27.33 in-out in 8.8739 Saltbr-out 3.6727 HRD-out -76.07, 95.41 -48.17, -63.17 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 177.03 APE8-dihe-in -61.6, 136.03 APE8-rot-in 305.18 APE67-dihe-in -74.33, -25.33 -56.72, -44.14 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 6.2972 None None None EM 3.4 999.0 999.0 B 2527.0 1705.0 29 26 13 13 [[1875, 2134]] 1.0 8u8a Homo sapiens TKL_LRRK2_HUMAN TKL 3.8e-57 200.3 5.0 266.0 262.0 2016 2017 2018 2020 2022 1906 1920 1924 1991 1993 1992 1994.0 2055 2042 2037 2036 2035 2034 2033 2032 2031 1948 Leucine-rich repeat serine/threonine-protein kinase 2
TKL LRRK2 LRRK2_HUMAN 8U8AC Q5S007 558 2526 2527.0 0LI:2601 Type2 Inactive DFGout 14.8696 10.8459 BBAminus -150.46, 144.31 -124.23, 97.69 -69.77, -11.06 321.78, 111.5 66.48, 27.35 in-out in 8.8719 Saltbr-out 3.6608 HRD-out -76.02, 95.48 -48.33, -63.13 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 177.01 APE8-dihe-in -61.57, 135.98 APE8-rot-in 305.14 APE67-dihe-in -74.37, -25.35 -56.73, -44.17 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 6.3006 None None None EM 3.4 999.0 999.0 C 2527.0 1705.0 29 26 13 13 [[1875, 2134]] 1.0 8u8a Homo sapiens TKL_LRRK2_HUMAN TKL 3.8e-57 200.3 5.0 266.0 262.0 2016 2017 2018 2020 2022 1906 1920 1924 1991 1993 1992 1994.0 2055 2042 2037 2036 2035 2034 2033 2032 2031 1948 Leucine-rich repeat serine/threonine-protein kinase 2
TKL RIPK2 RIPK2_HUMAN 4C8BA O43353 8 316 540.0 0LI:1000 Type2 Inactive DFGout 12.7285 8.5841 None -142.99, -175.55 -154.35, 140.4 -129.56, 999.0 290.55, 114.67 999.0, 999.0 in-in in 8.2431 Saltbr-in 2.8173 HRD-in -79.84, -58.2 64.89, 19.36 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoni APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -36.9 APE8-dihe-out -84.71, -55.98 APE8-rot-none 999.0 APE67-dihe-in -64.98, -25.64 -68.13, -16.01 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.2944 None None None XRAY 2.75 0.203 0.244 A 334.0 279.0 30 33 11 22 [[18, 292]] 1.0 4c8b Homo sapiens TKL_RIPK2_HUMAN TKL 3.4e-73 252.4 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2
TKL RIPK2 RIPK2_HUMAN 4C8BB O43353 9 316 540.0 0LI:1000 Type2 Inactive DFGout 12.8402 8.8595 None -140.63, -176.63 -153.18, 138.54 -119.75, 999.0 285.35, 113.34 999.0, 999.0 in-in in 8.2645 Saltbr-in 2.8058 HRD-in -79.98, -59.74 66.42, 17.86 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -39.27 APE8-dihe-out -68.6, -38.75 APE8-rot-out 169.06 APE67-dihe-in -64.78, -24.38 -61.46, -15.15 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.4449 None None None XRAY 2.75 0.203 0.244 B 334.0 281.0 27 33 11 22 [[18, 292]] 1.0 4c8b Homo sapiens TKL_RIPK2_HUMAN TKL 3.4e-73 252.4 4.0 266.0 263.0 163 164 165 167 169 47 66 70 143 145 144 146.0 211 196 191 190 189 188 187 186 185 96 Receptor-interacting serine/threonine-protein kinase 2
TYR DDR1 DDR1_HUMAN 3ZOSB Q08345 601 913 913.0 0LI:61000 Type2 Inactive DFGout 13.6455 9.6295 BBAminus -143.84, 178.94 -153.3, 114.42 -82.71, -15.18 287.49, 108.73 52.14, -127.46 in-in in 7.9604 Saltbr-in 2.8828 HRD-in -60.43, -59.89 83.25, -8.8 in-out-in SNCioi out-in ActLoopNT-out 17.4003 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -109.91, 133.24 APE9-dihe-in -130.81, 142.32 APE8-dihe-in -80.63, 68.61 APE8-rot-na 30.08 APE67-dihe-in -67.12, -16.99 -59.3, -31.33 APE12-dist-na 11.7194 APE11-dist-na 12.9393 APE10-dist-na 10.2231 APE9-dist-in 7.9237 None None None XRAY 1.92 0.208 0.234 B 315.0 301.0 12 30 30 0 [[610, 907]] 1.0 3zos Homo sapiens TYR_DDR1_HUMAN TYR 1.5e-92 315.5 1.0 260.0 260.0 783 784 785 787 789 655 672 676 763 765 764 766.0 825 813 808 807 806 805 804 803 802 702 Epithelial discoidin domain-containing receptor 1
TYR DDR1 DDR1_HUMAN 3ZOSA Q08345 602 913 913.0 0LI:61000,0LI:61004 Type2,Allosteric Inactive DFGout 13.6836 9.7654 BBAminus -140.01, 179.9 -153.22, 112.84 -85.26, -13.51 285.68, 107.96 48.92, -126.09 in-in in 7.9981 Saltbr-in 2.8815 HRD-in -61.25, -58.95 80.5, -7.41 in-out-in SNCioi out-in ActLoopNT-out 17.4763 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -117.17, 140.69 APE9-dihe-in -129.43, 143.43 APE8-dihe-in -82.4, 69.11 APE8-rot-na 29.15 APE67-dihe-in -67.51, -15.14 -58.33, -33.07 APE12-dist-na 11.7075 APE11-dist-na 12.3847 APE10-dist-na 10.1712 APE9-dist-in 7.9197 None None None XRAY 1.92 0.208 0.234 A 315.0 301.0 11 30 30 0 [[610, 907]] 1.0 3zos Homo sapiens TYR_DDR1_HUMAN TYR 1.5e-92 315.5 1.0 260.0 260.0 783 784 785 787 789 655 672 676 763 765 764 766.0 825 813 808 807 806 805 804 803 802 702 Epithelial discoidin domain-containing receptor 1
TYR FGFR1 FGFR1_HUMAN 4V04B P11362 458 765 822.0 0LI:1771 Type2 Inactive DFGout 13.974 9.8725 BBAminus -127.4, -173.98 -164.99, 120.92 -104.35, 44.71 306.97, 107.67 29.41, -12.23 in-in in 7.692 Saltbr-in 3.0147 HRD-in -72.1, -51.88 81.11, -15.75 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -102.55, 155.16 APE9-dihe-in -98.03, 109.95 APE8-dihe-out -52.12, -21.56 APE8-rot-na 329.22 APE67-dihe-in -70.06, -7.36 -58.08, -24.0 APE12-dist-na 19.5141 APE11-dist-na 20.9701 APE10-dist-na 19.2978 APE9-dist-out 11.5913 C488A,C584S None None XRAY 2.12 0.188 0.228 B 309.0 289.0 19 30 24 6 [[478, 756]] 1.0 4v04 Homo sapiens TYR_FGFR1_HUMAN TYR 1.4e-104 354.9 1.0 260.0 260.0 640 641 642 644 646 514 531 535 620 622 621 623.0 682 670 665 664 663 662 661 660 659 562 Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 4V01A P11362 465 765 822.0 0LI:1776 Type2 Inactive DFGout 13.6478 9.6834 None -136.22, -176.63 -157.46, 111.62 -99.01, 999.0 301.26, 98.54 999.0, 999.0 in-in in 7.8519 Saltbr-in 2.8239 HRD-in -71.33, -57.3 83.26, -24.31 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -104.02, 147.14 APE9-dihe-in -94.17, 112.67 APE8-dihe-out -54.82, -21.48 APE8-rot-na 334.27 APE67-dihe-in -70.4, -11.17 -58.27, -24.17 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 11.7272 C488A,C584S None None XRAY 2.33 0.191 0.238 A 309.0 273.0 28 30 22 8 [[478, 756]] 1.0 4v01 Homo sapiens TYR_FGFR1_HUMAN TYR 1.4e-104 354.9 1.0 260.0 260.0 640 641 642 644 646 514 531 535 620 622 621 623.0 682 670 665 664 663 662 661 660 659 562 Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 4V01B P11362 461 763 822.0 0LI:1770 Type2 Inactive DFGout 13.4764 9.083 None -140.66, -178.05 -156.06, 123.42 -117.89, 999.0 302.59, 94.37 999.0, 999.0 in-in in 7.9159 Saltbr-in 2.8067 HRD-in -63.92, -54.57 77.31, -15.23 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -101.11, 164.12 APE9-dihe-in -107.61, 109.54 APE8-dihe-out -56.39, -11.31 APE8-rot-na 332.13 APE67-dihe-in -66.82, -7.77 -66.39, -26.4 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 11.8136 C488A,C584S None None XRAY 2.33 0.191 0.238 B 309.0 275.0 28 30 22 8 [[478, 756]] 1.0 4v01 Homo sapiens TYR_FGFR1_HUMAN TYR 1.4e-104 354.9 1.0 260.0 260.0 640 641 642 644 646 514 531 535 620 622 621 623.0 682 670 665 664 663 662 661 660 659 562 Fibroblast growth factor receptor 1
TYR FGFR1 FGFR1_HUMAN 4V04A P11362 463 765 822.0 0LI:1772 Type2 Inactive DFGout 14.0506 10.3941 None -127.25, -179.24 -145.47, 116.11 -167.94, 35.9 26.55, 54.39 23.93, -5.2 in-in in 7.8637 Saltbr-in 3.2056 HRD-in -65.2, -58.04 83.28, -16.96 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -102.41, 155.12 APE9-dihe-in -98.09, 110.26 APE8-dihe-out -52.77, -21.99 APE8-rot-na 329.65 APE67-dihe-in -70.41, -8.08 -56.89, -24.83 APE12-dist-na 19.6385 APE11-dist-na 21.0205 APE10-dist-na 19.3218 APE9-dist-out 11.7003 C488A,C584S None None XRAY 2.12 0.188 0.228 A 309.0 293.0 10 30 24 6 [[478, 756]] 1.0 4v04 Homo sapiens TYR_FGFR1_HUMAN TYR 1.4e-104 354.9 1.0 260.0 260.0 640 641 642 644 646 514 531 535 620 622 621 623.0 682 670 665 664 663 662 661 660 659 562 Fibroblast growth factor receptor 1
TYR FGFR4 FGFR4_HUMAN 4UXQA P22455 452 750 802.0 0LI:1752 Type2 Inactive DFGout 13.2886 9.6881 BBAminus -132.52, -175.6 -154.98, 108.32 -101.68, -37.05 301.67, 99.59 -82.32, -172.58 in-in in 7.8131 Saltbr-in 2.7274 HRD-in -74.83, -56.93 88.13, -22.48 in-out-out SNCioo out-out ActLoopNT-out 15.96 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -78.09, 139.64 APE9-dihe-in -109.24, 95.28 APE8-dihe-out -52.11, -28.25 APE8-rot-na 327.58 APE67-dihe-in -73.35, -9.88 -60.02, -19.19 APE12-dist-na 12.2275 APE11-dist-na 12.9237 APE10-dist-na 10.1127 APE9-dist-out 11.6116 C477A None None XRAY 1.85 0.205 0.268 A 309.0 286.0 13 30 30 0 [[467, 745]] 1.0 4uxq Homo sapiens TYR_FGFR4_HUMAN TYR 8.2e-101 342.6 1.0 261.0 261.0 629 630 631 633 635 503 520 524 609 611 610 612.0 671 659 654 653 652 651 650 649 648 551 Fibroblast growth factor receptor 4
TYR FGFR4 FGFR4_HUMAN 4TYJA P22455 447 753 802.0 0LI:60801 Type2 Inactive DFGout 13.629 9.6017 BBAminus -136.8, -177.28 -149.4, 114.79 -98.18, 9.17 298.44, 103.78 79.91, -171.4 in-in in 7.8197 Saltbr-in 2.7569 HRD-in -71.95, -55.51 84.74, -19.01 in-out-out SNCioo out-out ActLoopNT-out 19.1078 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 130.68 APE8-dihe-in -83.91, 64.17 APE8-rot-na 36.55 APE67-dihe-in -73.09, -8.81 -53.35, -41.59 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.8188 None None None XRAY 2.45 0.217 0.247 A 311.0 275.0 32 30 15 15 [[467, 745]] 1.0 4tyj Homo sapiens TYR_FGFR4_HUMAN TYR 1.2e-100 342.0 1.0 261.0 261.0 629 630 631 633 635 503 520 524 609 611 610 612.0 671 659 654 653 652 651 650 649 648 551 Fibroblast growth factor receptor 4
TYR FGFR4 FGFR4_HUMAN 4QRCA P22455 454 750 802.0 0LI:802 Type2 Inactive DFGout 13.8479 9.4478 None -128.93, 176.89 -168.87, 140.49 58.84, 41.6 314.29, 151.03 128.95, 161.76 in-in in 7.2685 Saltbr-in 2.5447 HRD-in -73.23, -52.1 79.8, -10.52 in-out-out SNCioo out-out ActLoopNT-out 8.6625 ActLoopCT-out TYR APEdihe_iioai APEdist_aaao APE10-dihe-in -79.02, 138.09 APE9-dihe-in -108.95, 92.74 APE8-dihe-out -61.85, -18.49 APE8-rot-na 333.49 APE67-dihe-in -72.31, -7.32 -59.05, -24.57 APE12-dist-na 19.5374 APE11-dist-na 21.0468 APE10-dist-na 16.8729 APE9-dist-out 12.0169 C477A,R664E None None XRAY 1.901 0.173 0.207 A 323.0 297.0 0 30 30 0 [[467, 745]] 1.0 4qrc Homo sapiens TYR_FGFR4_HUMAN TYR 1.5e-100 341.7 1.0 261.0 261.0 629 630 631 633 635 503 520 524 609 611 610 612.0 671 659 654 653 652 651 650 649 648 551 Fibroblast growth factor receptor 4
TYR KIT KIT_HUMAN 8S17A P10721 567 931 976.0 0LI:61001 Type2 Inactive DFGout 15.4253 9.9509 BBAminus -145.25, 179.39 -143.98, 106.64 -67.34, -40.16 274.67, 96.68 58.73, -115.03 in-in in 7.749 Saltbr-in 2.6955 HRD-in -73.68, -54.05 81.88, -13.47 in-out-in SNCioi out-in ActLoopNT-out 16.3106 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -118.0, 112.95 APE9-dihe-in -124.02, 150.83 APE8-dihe-in -80.03, 74.01 APE8-rot-na 32.18 APE67-dihe-in -67.91, -14.83 -61.86, -40.28 APE12-dist-na 16.635 APE11-dist-na 13.2018 APE10-dist-na 11.5146 APE9-dist-in 7.7012 I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D None None XRAY 2.2 0.203 0.228 A 327.0 287.0 0 30 30 0 [[589, 926]] 1.0 8s17 Homo sapiens TYR_KIT_HUMAN TYR 2.3e-104 354.3 1.0 261.0 261.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR KIT KIT_HUMAN 8S17B P10721 578 931 976.0 0LI:61001 Type2 Inactive DFGout 15.2272 9.8787 BBAminus -145.11, 172.96 -138.62, 103.76 -65.65, -38.27 276.93, 92.02 61.53, -118.4 in-in in 7.6517 Saltbr-in 2.7434 HRD-in -69.78, -55.3 82.77, -9.47 in-out-in SNCioi out-in ActLoopNT-out 16.4084 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -113.26, 116.47 APE9-dihe-in -128.18, 149.58 APE8-dihe-in -80.46, 72.63 APE8-rot-na 32.73 APE67-dihe-in -67.64, -17.39 -58.96, -38.89 APE12-dist-na 16.5047 APE11-dist-na 13.3085 APE10-dist-na 11.7177 APE9-dist-in 7.9746 I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D None None XRAY 2.2 0.203 0.228 B 327.0 276.0 0 30 30 0 [[589, 926]] 1.0 8s17 Homo sapiens TYR_KIT_HUMAN TYR 2.3e-104 354.3 1.0 261.0 261.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR KIT KIT_HUMAN 4U0IA P10721 565 933 976.0 0LI:1001 Type2 Inactive DFGout 15.1525 9.7578 BBAminus -145.62, -174.19 -155.03, 115.98 -76.91, -26.31 285.47, 90.73 51.17, -116.44 in-in in 7.6858 Saltbr-in 2.6193 HRD-in -74.87, -53.81 79.28, -20.01 in-out-in SNCioi out-in ActLoopNT-out 16.4462 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -94.86, 120.83 APE9-dihe-in -126.16, 149.12 APE8-dihe-in -78.54, 70.26 APE8-rot-na 32.2 APE67-dihe-in -61.59, -16.21 -59.65, -43.09 APE12-dist-na 17.1926 APE11-dist-na 14.015 APE10-dist-na 12.1639 APE9-dist-in 7.6808 None None None XRAY 2.0 0.204 0.239 A 315.0 297.0 12 30 30 0 [[589, 926]] 1.0 4u0i Homo sapiens TYR_KIT_HUMAN TYR 3.8e-102 347.0 1.0 260.0 260.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR ROR1 ROR1_HUMAN 6TU9A Q01973 460 749 937.0 0LI:801 Type1 Pseudo None 999.0 999.0 None -143.45, 175.76 -148.29, 81.04 -104.43, 119.64 999.0, 999.0 -53.65, -7.79 in-in in 8.2268 Saltbr-in 2.7255 HRD-in -69.35, -57.72 81.6, -11.35 in-out-in SNCioi out-in ActLoopNT-out 15.3953 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -88.59, 129.49 APE9-dihe-in -125.15, 133.19 APE8-dihe-in -78.4, 68.8 APE8-rot-na 36.93 APE67-dihe-in -68.17, -18.18 -55.42, -35.07 APE12-dist-na 999.0 APE11-dist-na 15.6904 APE10-dist-na 11.605 APE9-dist-in 6.9924 None None None XRAY 1.94 0.21 0.241 A 306.0 268.0 22 30 26 4 [[473, 748]] 1.0 6tu9 Homo sapiens TYR_ROR1_HUMAN TYR 1.2e-94 322.4 2.0 260.0 259.0 632 633 634 636 638 506 523 527 612 614 613 615.0 674 662 657 656 655 654 653 652 651 553 Inactive tyrosine-protein kinase transmembrane receptor ROR1
TYR ROR1 ROR1_HUMAN 6TU9B Q01973 465 750 937.0 0LI:801 Type1 Pseudo None 999.0 999.0 None -143.03, 176.7 -144.7, 81.77 -85.65, -31.03 999.0, 999.0 92.49, -44.82 in-in in 8.2829 Saltbr-in 2.9737 HRD-in -64.86, -61.91 82.91, -9.99 in-none-in SNCini none-in ActLoopNT-none 999.0 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -100.96, 129.63 APE9-dihe-in -119.15, 127.45 APE8-dihe-in -76.72, 68.52 APE8-rot-na 33.66 APE67-dihe-in -67.05, -20.69 -57.04, -32.64 APE12-dist-na 17.0248 APE11-dist-na 15.144 APE10-dist-na 11.1966 APE9-dist-in 6.9698 None None None XRAY 1.94 0.21 0.241 B 306.0 261.0 25 30 28 2 [[473, 748]] 1.0 6tu9 Homo sapiens TYR_ROR1_HUMAN TYR 1.2e-94 322.4 2.0 260.0 259.0 632 633 634 636 638 506 523 527 612 614 613 615.0 674 662 657 656 655 654 653 652 651 553 Inactive tyrosine-protein kinase transmembrane receptor ROR1
TYR SRC SRC_HUMAN 7OTEA P12931 261 536 536.0 0LI:601 Type2 Inactive DFGout 13.678 9.0255 BBAminus -119.79, 176.26 -136.22, 145.66 -117.56, 59.41 289.7, 90.17 173.51, 999.0 in-in in 7.8789 Saltbr-in 2.5317 HRD-in -78.56, -49.16 85.49, -24.96 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 150.65 APE8-dihe-in -61.46, 92.79 APE8-rot-na 30.48 APE67-dihe-in -70.25, -17.48 -54.65, -43.51 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.6182 None None None XRAY 2.49 0.179 0.252 A 293.0 259.0 17 29 12 17 [[270, 521]] 1.0 7ote Homo sapiens TYR_SRC_HUMAN TYR 1.8e-94 321.9 1.0 260.0 260.0 406 407 408 410 412 298 313 317 386 388 387 389.0 447 435 430 429 428 427 426 425 424 342 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_HUMAN 7OTEB P12931 261 536 536.0 0LI:601 Type2 Inactive DFGout 14.5076 9.1805 BBAminus -149.51, 179.45 -147.71, 103.83 -80.1, -7.38 295.65, 135.68 68.38, 999.0 in-out in 8.9117 Saltbr-out 4.1347 HRD-in -81.29, -57.98 98.12, -42.77 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 148.79 APE8-dihe-in -102.78, 62.88 APE8-rot-na 39.14 APE67-dihe-in -65.77, -18.22 -41.35, -46.37 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.2979 None None None XRAY 2.49 0.179 0.252 B 293.0 259.0 17 29 12 17 [[270, 521]] 1.0 7ote Homo sapiens TYR_SRC_HUMAN TYR 1.8e-94 321.9 1.0 260.0 260.0 406 407 408 410 412 298 313 317 386 388 387 389.0 447 435 430 429 428 427 426 425 424 342 Proto-oncogene tyrosine-protein kinase Src
TYR ABL1 ABL1_MOUSE 3IK3A P00520 229 513 1123.0 0LI:60001 Type2 Inactive DFGout 13.5039 9.4383 BBAminus -139.29, -179.88 -153.49, 108.65 -85.72, -9.94 290.6, 95.91 72.02, 48.56 in-in in 7.934 Saltbr-in 2.5375 HRD-in -70.15, -60.9 90.87, -12.1 in-none-in SNCini none-in ActLoopNT-none 999.0 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -111.42, 120.77 APE9-dihe-in -114.74, 139.96 APE8-dihe-in -82.31, 89.85 APE8-rot-na 32.91 APE67-dihe-in -77.22, -7.68 -48.36, -44.8 APE12-dist-na 16.0102 APE11-dist-na 11.8397 APE10-dist-na 8.4563 APE9-dist-in 7.993 T315I None None XRAY 1.9 0.216 0.258 A 288.0 279.0 6 29 23 6 [[242, 495]] 1.0 3ik3 Mus musculus TYR_ABL1_MOUSE TYR 5.5e-100 339.9 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_MOUSE 3IK3B P00520 229 513 1123.0 0LI:60002 Type2 Inactive DFGout 13.4975 9.1697 BBAminus -129.46, 178.53 -148.47, 114.27 -91.94, -7.12 286.37, 101.01 64.82, 50.27 in-in in 7.9919 Saltbr-in 2.6552 HRD-in -76.51, -54.44 85.69, -10.99 in-out-in SNCioi out-in ActLoopNT-out 15.7027 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -129.88, 123.97 APE9-dihe-in -117.43, 141.07 APE8-dihe-in -76.99, 85.79 APE8-rot-na 29.46 APE67-dihe-in -85.08, -5.45 -41.61, -41.71 APE12-dist-na 15.8259 APE11-dist-na 11.5962 APE10-dist-na 8.603 APE9-dist-in 7.8512 T315I None None XRAY 1.9 0.216 0.258 B 288.0 285.0 0 29 29 0 [[242, 495]] 1.0 3ik3 Mus musculus TYR_ABL1_MOUSE TYR 5.5e-100 339.9 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_MOUSE 3OXZA P00520 229 511 1123.0 0LI:60001 Type2 Inactive DFGout 13.3158 8.9403 BBAminus -130.11, -171.24 -154.37, 127.79 -115.42, 5.71 286.77, 98.95 48.45, 62.42 in-in in 8.0038 Saltbr-in 3.005 HRD-in -71.2, -52.05 81.82, -16.86 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -90.47, 133.09 APE9-dihe-in -119.78, 140.42 APE8-dihe-in -76.32, 77.74 APE8-rot-na 32.13 APE67-dihe-in -76.96, -8.32 -43.1, -46.11 APE12-dist-na 15.3775 APE11-dist-na 10.76 APE10-dist-na 8.339 APE9-dist-out 8.088 None None None XRAY 2.2 0.218 0.261 A 284.0 267.0 16 29 19 10 [[242, 495]] 1.0 3oxz Mus musculus TYR_ABL1_MOUSE TYR 2.6e-100 341.0 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1

Ligand: 0LI (Ponatinib)

Total number of chains: 5
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 5 100.0% 3IK3B

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Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ
DFG-Asp
φ,ψ
DFG-Phe
φ,ψ
DFG-Phe
χ1,χ2
DFG-Gly
φ,ψ
ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
TYR SRC SRC_CHICK 7WF5A P00523 257 533 533.0 0LI:601 Type2 Inactive DFGout 13.2929 8.8534 BBAminus -138.86, 178.47 -148.72, 117.06 -103.55, 7.74 290.87, 100.32 61.55, 53.93 in-in in 7.6711 Saltbr-in 2.6168 HRD-in -81.35, -59.57 92.68, -15.97 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 114.23 APE8-dihe-in -80.1, 61.84 APE8-rot-na 34.61 APE67-dihe-in -62.67, -20.24 -53.79, -38.37 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.0033 None None None XRAY 1.798 0.163 0.183 A 286.0 261.0 16 29 13 16 [[267, 518]] 1.0 7wf5 Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 7WF5B P00523 254 533 533.0 0LI:601 Type2 Inactive DFGout 13.3369 8.808 BBAminus -139.72, 178.97 -149.88, 114.3 -104.08, 8.92 292.96, 104.73 64.81, 53.74 in-in in 7.856 Saltbr-in 2.7923 HRD-in -81.76, -58.24 93.94, -19.23 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 96.23 APE8-dihe-in -81.79, 58.44 APE8-rot-na 33.89 APE67-dihe-in -61.6, -25.83 -54.2, -35.0 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.5617 None None None XRAY 1.798 0.163 0.183 B 286.0 265.0 15 29 14 15 [[267, 518]] 1.0 7wf5 Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1.0 260.0 260.0 403 404 405 407 409 295 310 314 383 385 384 386.0 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR ABL1 ABL1_MOUSE 3IK3A P00520 229 513 1123.0 0LI:60001 Type2 Inactive DFGout 13.5039 9.4383 BBAminus -139.29, -179.88 -153.49, 108.65 -85.72, -9.94 290.6, 95.91 72.02, 48.56 in-in in 7.934 Saltbr-in 2.5375 HRD-in -70.15, -60.9 90.87, -12.1 in-none-in SNCini none-in ActLoopNT-none 999.0 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -111.42, 120.77 APE9-dihe-in -114.74, 139.96 APE8-dihe-in -82.31, 89.85 APE8-rot-na 32.91 APE67-dihe-in -77.22, -7.68 -48.36, -44.8 APE12-dist-na 16.0102 APE11-dist-na 11.8397 APE10-dist-na 8.4563 APE9-dist-in 7.993 T315I None None XRAY 1.9 0.216 0.258 A 288.0 279.0 6 29 23 6 [[242, 495]] 1.0 3ik3 Mus musculus TYR_ABL1_MOUSE TYR 5.5e-100 339.9 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_MOUSE 3IK3B P00520 229 513 1123.0 0LI:60002 Type2 Inactive DFGout 13.4975 9.1697 BBAminus -129.46, 178.53 -148.47, 114.27 -91.94, -7.12 286.37, 101.01 64.82, 50.27 in-in in 7.9919 Saltbr-in 2.6552 HRD-in -76.51, -54.44 85.69, -10.99 in-out-in SNCioi out-in ActLoopNT-out 15.7027 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -129.88, 123.97 APE9-dihe-in -117.43, 141.07 APE8-dihe-in -76.99, 85.79 APE8-rot-na 29.46 APE67-dihe-in -85.08, -5.45 -41.61, -41.71 APE12-dist-na 15.8259 APE11-dist-na 11.5962 APE10-dist-na 8.603 APE9-dist-in 7.8512 T315I None None XRAY 1.9 0.216 0.258 B 288.0 285.0 0 29 29 0 [[242, 495]] 1.0 3ik3 Mus musculus TYR_ABL1_MOUSE TYR 5.5e-100 339.9 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_MOUSE 3OXZA P00520 229 511 1123.0 0LI:60001 Type2 Inactive DFGout 13.3158 8.9403 BBAminus -130.11, -171.24 -154.37, 127.79 -115.42, 5.71 286.77, 98.95 48.45, 62.42 in-in in 8.0038 Saltbr-in 3.005 HRD-in -71.2, -52.05 81.82, -16.86 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -90.47, 133.09 APE9-dihe-in -119.78, 140.42 APE8-dihe-in -76.32, 77.74 APE8-rot-na 32.13 APE67-dihe-in -76.96, -8.32 -43.1, -46.11 APE12-dist-na 15.3775 APE11-dist-na 10.76 APE10-dist-na 8.339 APE9-dist-out 8.088 None None None XRAY 2.2 0.218 0.261 A 284.0 267.0 16 29 19 10 [[242, 495]] 1.0 3oxz Mus musculus TYR_ABL1_MOUSE TYR 2.6e-100 341.0 1.0 260.0 260.0 380 381 382 384 386 271 286 290 360 362 361 363.0 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1