Ligand: 1E8 (Ibrutinib, Imbruvica)

Total number of chains: 7
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBtrans 4 57.1% 5YU9D
DFGin BLBplus 1 14.3% 5P9IA
DFGout None 1 14.3% 6YZ4A
None None 1 14.3% 6YG2A
All chains - renumbered by
Uniprot PDB Alignment

Hover over column headers for tooltip help

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 MAP2K7 MP2K7_HUMAN 6YZ4A O14733 101 404 419.0 1E8:60514 Allosteric Inactive DFGout 14.515 13.063 None -65.33, 150.4 -71.99, -22.54 -69.32, 117.0 179.71, 79.57 76.56, 9.7 na-na na 9.977 Saltbr-na 5.768 HRD-in -58.98, -51.27 69.96, 9.38 na-out-out SNCaoo out-out ActLoopNT-out 4.641 ActLoopCT-out nonTYR APEdihe_aaoai APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 162.56 APE8-dihe-out -103.96, 46.58 APE8-rot-na 270.86 APE67-dihe-in -43.13, -49.42 -40.36, -39.46 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.555 None None None XRAY 1.7 0.171 0.206 A 307 290 14 0 0 10 [[120, 380]] 1.0 6yz4 STE_MAP2K7_HUMAN STE 2.4e-80 275.5 2 257 256 260 261 262 264 266 149 166 170 240 242 241 243 304 287 282 281 280 279 278 277 276 197 Dual specificity mitogen-activated protein kinase kinase 7
STE MAP2K7 MP2K7_HUMAN 6YG2A O14733 102 404 419.0 1E8:60513,8E8:60514 Allosteric,Type1.5_Front Inactive None 999.0 999.0 None -141.51, 164.72 -158.89, -8.67 -87.07, 69.85 999.0, 999.0 141.69, -6.89 na-na na 9.975 Saltbr-na 8.41 HRD-in -58.05, -52.64 72.65, 3.0 na-out-none SNCaon out-none ActLoopNT-out 4.433 ActLoopCT-none nonTYR APEdihe_aanai APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 29.92 APE8-rot-na 285.9 APE67-dihe-in -48.65, -40.74 -57.35, -36.07 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.0 0.181 0.23 A 307 290 13 0 0 13 [[120, 380]] 1.0 6yg2 STE_MAP2K7_HUMAN STE 2.4e-80 275.5 2 257 256 260 261 262 264 266 149 166 170 240 242 241 243 304 287 282 281 280 279 278 277 276 197 Dual specificity mitogen-activated protein kinase kinase 7
TYR BTK BTK_HUMAN 5P9IA Q06187 389 659 659.0 1E8:701 Type1.5_Back Inactive DFGin 5.816 13.143 BLBplus -132.96, 170.25 54.94, 29.06 -65.92, 126.76 36.65, 92.12 73.44, -5.74 out-out out 14.702 Saltbr-out 15.183 HRD-in -73.21, -51.74 79.25, -8.77 out-out-out SNCooo out-out ActLoopNT-out 8.167 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -117.83, 16.54 APE9-dihe-in -74.83, 144.69 APE8-dihe-in -79.03, 64.34 APE8-rot-na 27.14 APE67-dihe-in -70.64, -9.5 -53.48, -42.88 APE12-dist-na 16.942 APE11-dist-na 18.931 APE10-dist-na 14.136 APE9-dist-out 8.815 None None None XRAY 1.11 0.196 0.211 A 279 271 0 0 0 0 [[402, 653]] 1.0 5p9i TYR_BTK_HUMAN TYR 6.7e-93 316.7 1 258 258 538 539 540 542 544 430 445 449 518 520 519 521 579 567 562 561 560 559 558 557 556 475 Tyrosine-protein kinase BTK
TYR EGFR EGFR_HUMAN 5YU9A P00533 700 1017 1210.0 1E8:1101 Type1 Inactive DFGin 5.636 16.954 BLBtrans -125.21, 170.75 68.2, 24.35 -60.36, 133.88 165.48, 79.68 84.64, -7.33 out-out out 14.105 Saltbr-out 13.516 HRD-in -68.25, -48.62 80.2, -8.38 out-out-out SNCooo out-out ActLoopNT-out 6.623 ActLoopCT-out TYR APEdihe_niiai APEdist_aaao APE10-dihe-none 999.0, -1.9 APE9-dihe-in -68.14, 141.09 APE8-dihe-in -83.65, 70.23 APE8-rot-na 33.58 APE67-dihe-in -73.94, -5.17 -61.14, -38.49 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 13.164 APE9-dist-out 8.325 T790M None None XRAY 1.95 0.203 0.222 A 331 302 16 0 0 12 [[712, 970]] 1.0 5yu9 TYR_EGFR_HUMAN TYR 8.4e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 5YU9B P00533 699 1011 1210.0 1E8:1101 Type1 Inactive DFGin 5.578 16.845 BLBtrans -112.64, 177.79 63.79, 24.69 -63.05, 134.78 163.6, 79.76 84.83, -6.07 out-out out 14.134 Saltbr-out 14.101 HRD-in -68.46, -48.55 81.72, -13.78 out-out-out SNCooo out-out ActLoopNT-out 6.519 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 119.76 APE8-dihe-in -84.19, 72.46 APE8-rot-na 28.56 APE67-dihe-in -69.8, -15.04 -60.51, -37.69 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.185 T790M None None XRAY 1.95 0.203 0.222 B 331 295 18 0 0 13 [[712, 970]] 1.0 5yu9 TYR_EGFR_HUMAN TYR 8.4e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 5YU9C P00533 697 1021 1210.0 1E8:1101 Type1 Inactive DFGin 5.67 16.652 BLBtrans -122.9, 169.66 70.91, 24.34 -64.7, 134.43 166.29, 81.69 95.85, -22.56 out-out out 13.826 Saltbr-out 13.722 HRD-in -69.25, -50.19 81.18, -12.38 out-out-out SNCooo out-out ActLoopNT-out 6.805 ActLoopCT-out TYR APEdihe_niiai APEdist_aaao APE10-dihe-none 999.0, 107.02 APE9-dihe-in -132.02, 145.19 APE8-dihe-in -82.44, 66.61 APE8-rot-na 16.92 APE67-dihe-in -75.02, -8.16 -59.33, -36.13 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 12.992 APE9-dist-out 8.462 T790M None None XRAY 1.95 0.203 0.222 C 331 306 16 0 0 12 [[712, 970]] 1.0 5yu9 TYR_EGFR_HUMAN TYR 8.4e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 5YU9D P00533 700 1012 1210.0 1E8:1101 Type1 Inactive DFGin 5.71 16.766 BLBtrans -121.88, 171.32 72.04, 19.53 -55.62, 135.13 163.77, 67.42 83.7, -13.08 out-out out 13.758 Saltbr-out 13.361 HRD-in -69.57, -49.84 80.09, -14.78 out-out-out SNCooo out-out ActLoopNT-out 6.597 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 151.91 APE8-dihe-in -82.51, 73.37 APE8-rot-na 30.07 APE67-dihe-in -70.37, -12.42 -60.68, -39.06 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.027 T790M None None XRAY 1.95 0.203 0.222 D 331 300 13 0 0 13 [[712, 970]] 1.0 5yu9 TYR_EGFR_HUMAN TYR 8.4e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor

Ligand: 1E8 (Ibrutinib, Imbruvica)

Total number of chains: 13
Active chains: 0
Total number of genes: 6
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 4 30.8% 6L8LA
DFGin BLBtrans 4 30.8% 5YU9D
None None 2 15.4% 4IFGA
DFGin ABAminus 1 7.7% 4RZ7A
DFGin BLBplus 1 7.7% 5P9IA
DFGout None 1 7.7% 6YZ4A
All chains - renumbered by
Uniprot PDB Alignment

Hover over column headers for tooltip help

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 6L8LA P00523 261 533 533.0 1E8:600 Type1 Inactive DFGin 6.613 12.393 BLAplus -128.39, 176.74 59.89, 42.57 -81.67, -47.16 26.02, 77.75 -90.78, 59.54 out-out out 13.281 Saltbr-out 8.996 HRD-out -112.91, 94.84 -65.96, -12.75 out-out-out SNCooo out-out ActLoopNT-out 10.905 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 154.93 APE8-dihe-in -66.43, 81.82 APE8-rot-na 23.97 APE67-dihe-in -74.59, -14.4 -67.09, -25.67 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.439 None None None XRAY 2.888 0.241 0.286 A 286 258 15 0 0 14 [[267, 518]] 1.0 6l8l Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 6L8LB P00523 263 533 533.0 1E8:600 Type1 Inactive DFGin 7.272 12.647 BLAplus -135.39, 168.8 45.8, 47.25 -72.83, -15.87 33.81, 82.73 -114.1, 102.93 out-out out 13.04 Saltbr-out 11.753 HRD-out -115.57, 103.9 -67.67, -21.24 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, -35.26 APE8-dihe-in -86.37, 80.85 APE8-rot-na 32.34 APE67-dihe-in -57.51, -25.11 -78.49, -21.29 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.605 None None None XRAY 2.888 0.241 0.286 B 286 256 15 0 0 15 [[267, 518]] 1.0 6l8l Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 6L8LC P00523 261 533 533.0 1E8:600 Type1 Inactive DFGin 7.436 12.63 BLAplus -123.3, 172.86 47.86, 52.84 -82.66, -35.69 22.03, 80.29 -93.8, 100.14 out-out out 13.774 Saltbr-out 13.993 HRD-out -110.42, 102.19 -69.26, -16.44 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, 155.19 APE8-dihe-in -67.0, 80.81 APE8-rot-na 25.52 APE67-dihe-in -70.64, -14.63 -74.01, -19.95 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.431 None None None XRAY 2.888 0.241 0.286 C 286 258 15 0 0 15 [[267, 518]] 1.0 6l8l Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 6L8LD P00523 262 533 533.0 1E8:600 Type1 Inactive DFGin 7.492 12.685 BLAplus -129.6, 165.69 60.62, 47.62 -85.92, -20.83 32.22, 78.54 -110.16, 41.22 out-out out 13.348 Saltbr-out 9.949 HRD-out -113.41, 98.94 -68.83, -17.88 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, -41.96 APE8-dihe-in -78.05, 81.62 APE8-rot-na 30.74 APE67-dihe-in -65.69, -24.37 -78.81, -15.98 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.649 None None None XRAY 2.888 0.241 0.286 D 286 256 16 0 0 15 [[267, 518]] 1.0 6l8l Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
STE MAP2K7 MP2K7_HUMAN 6YZ4A O14733 101 404 419.0 1E8:60514 Allosteric Inactive DFGout 14.515 13.063 None -65.33, 150.4 -71.99, -22.54 -69.32, 117.0 179.71, 79.57 76.56, 9.7 na-na na 9.977 Saltbr-na 5.768 HRD-in -58.98, -51.27 69.96, 9.38 na-out-out SNCaoo out-out ActLoopNT-out 4.641 ActLoopCT-out nonTYR APEdihe_aaoai APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 162.56 APE8-dihe-out -103.96, 46.58 APE8-rot-na 270.86 APE67-dihe-in -43.13, -49.42 -40.36, -39.46 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.555 None None None XRAY 1.7 0.171 0.206 A 307 290 14 0 0 10 [[120, 380]] 1.0 6yz4 Homo sapiens STE_MAP2K7_HUMAN STE 2.4e-80 275.5 2 257 256 260 261 262 264 266 149 166 170 240 242 241 243 304 287 282 281 280 279 278 277 276 197 Dual specificity mitogen-activated protein kinase kinase 7
STE MAP2K7 MP2K7_HUMAN 6YG2A O14733 102 404 419.0 1E8:60513,8E8:60514 Allosteric,Type1.5_Front Inactive None 999.0 999.0 None -141.51, 164.72 -158.89, -8.67 -87.07, 69.85 999.0, 999.0 141.69, -6.89 na-na na 9.975 Saltbr-na 8.41 HRD-in -58.05, -52.64 72.65, 3.0 na-out-none SNCaon out-none ActLoopNT-out 4.433 ActLoopCT-none nonTYR APEdihe_aanai APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 29.92 APE8-rot-na 285.9 APE67-dihe-in -48.65, -40.74 -57.35, -36.07 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.0 0.181 0.23 A 307 290 13 0 0 13 [[120, 380]] 1.0 6yg2 Homo sapiens STE_MAP2K7_HUMAN STE 2.4e-80 275.5 2 257 256 260 261 262 264 266 149 166 170 240 242 241 243 304 287 282 281 280 279 278 277 276 197 Dual specificity mitogen-activated protein kinase kinase 7
TYR BTK BTK_HUMAN 5P9IA Q06187 389 659 659.0 1E8:701 Type1.5_Back Inactive DFGin 5.816 13.143 BLBplus -132.96, 170.25 54.94, 29.06 -65.92, 126.76 36.65, 92.12 73.44, -5.74 out-out out 14.702 Saltbr-out 15.183 HRD-in -73.21, -51.74 79.25, -8.77 out-out-out SNCooo out-out ActLoopNT-out 8.167 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -117.83, 16.54 APE9-dihe-in -74.83, 144.69 APE8-dihe-in -79.03, 64.34 APE8-rot-na 27.14 APE67-dihe-in -70.64, -9.5 -53.48, -42.88 APE12-dist-na 16.942 APE11-dist-na 18.931 APE10-dist-na 14.136 APE9-dist-out 8.815 None None None XRAY 1.11 0.196 0.211 A 279 271 0 0 0 0 [[402, 653]] 1.0 5p9i Homo sapiens TYR_BTK_HUMAN TYR 6.7e-93 316.7 1 258 258 538 539 540 542 544 430 445 449 518 520 519 521 579 567 562 561 560 559 558 557 556 475 Tyrosine-protein kinase BTK
TYR EGFR EGFR_HUMAN 5YU9A P00533 700 1017 1210.0 1E8:1101 Type1 Inactive DFGin 5.636 16.954 BLBtrans -125.21, 170.75 68.2, 24.35 -60.36, 133.88 165.48, 79.68 84.64, -7.33 out-out out 14.105 Saltbr-out 13.516 HRD-in -68.25, -48.62 80.2, -8.38 out-out-out SNCooo out-out ActLoopNT-out 6.623 ActLoopCT-out TYR APEdihe_niiai APEdist_aaao APE10-dihe-none 999.0, -1.9 APE9-dihe-in -68.14, 141.09 APE8-dihe-in -83.65, 70.23 APE8-rot-na 33.58 APE67-dihe-in -73.94, -5.17 -61.14, -38.49 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 13.164 APE9-dist-out 8.325 T790M None None XRAY 1.95 0.203 0.222 A 331 302 16 0 0 12 [[712, 970]] 1.0 5yu9 Homo sapiens TYR_EGFR_HUMAN TYR 8.4e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 5YU9B P00533 699 1011 1210.0 1E8:1101 Type1 Inactive DFGin 5.578 16.845 BLBtrans -112.64, 177.79 63.79, 24.69 -63.05, 134.78 163.6, 79.76 84.83, -6.07 out-out out 14.134 Saltbr-out 14.101 HRD-in -68.46, -48.55 81.72, -13.78 out-out-out SNCooo out-out ActLoopNT-out 6.519 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 119.76 APE8-dihe-in -84.19, 72.46 APE8-rot-na 28.56 APE67-dihe-in -69.8, -15.04 -60.51, -37.69 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.185 T790M None None XRAY 1.95 0.203 0.222 B 331 295 18 0 0 13 [[712, 970]] 1.0 5yu9 Homo sapiens TYR_EGFR_HUMAN TYR 8.4e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 5YU9C P00533 697 1021 1210.0 1E8:1101 Type1 Inactive DFGin 5.67 16.652 BLBtrans -122.9, 169.66 70.91, 24.34 -64.7, 134.43 166.29, 81.69 95.85, -22.56 out-out out 13.826 Saltbr-out 13.722 HRD-in -69.25, -50.19 81.18, -12.38 out-out-out SNCooo out-out ActLoopNT-out 6.805 ActLoopCT-out TYR APEdihe_niiai APEdist_aaao APE10-dihe-none 999.0, 107.02 APE9-dihe-in -132.02, 145.19 APE8-dihe-in -82.44, 66.61 APE8-rot-na 16.92 APE67-dihe-in -75.02, -8.16 -59.33, -36.13 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 12.992 APE9-dist-out 8.462 T790M None None XRAY 1.95 0.203 0.222 C 331 306 16 0 0 12 [[712, 970]] 1.0 5yu9 Homo sapiens TYR_EGFR_HUMAN TYR 8.4e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 5YU9D P00533 700 1012 1210.0 1E8:1101 Type1 Inactive DFGin 5.71 16.766 BLBtrans -121.88, 171.32 72.04, 19.53 -55.62, 135.13 163.77, 67.42 83.7, -13.08 out-out out 13.758 Saltbr-out 13.361 HRD-in -69.57, -49.84 80.09, -14.78 out-out-out SNCooo out-out ActLoopNT-out 6.597 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 151.91 APE8-dihe-in -82.51, 73.37 APE8-rot-na 30.07 APE67-dihe-in -70.37, -12.42 -60.68, -39.06 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.027 T790M None None XRAY 1.95 0.203 0.222 D 331 300 13 0 0 13 [[712, 970]] 1.0 5yu9 Homo sapiens TYR_EGFR_HUMAN TYR 8.4e-88 300.1 3 259 257 854 855 856 858 860 745 762 766 834 836 835 837 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
AGC PKG KGP_PLAVS 4RZ7A A5K0N4 1 815 846.0 1E8:60901 Type1 Inactive DFGin 6.254 14.92 ABAminus -127.99, -26.95 -105.77, 109.19 -105.96, 15.72 281.24, 84.16 -49.79, -42.31 out-out out 11.022 Saltbr-out 4.807 HRD-in -73.51, -51.78 72.97, -5.78 out-in-in SNCoii in-in ActLoopNT-in 2.762 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.06, 145.02 APE9-dihe-na 136.49, -173.52 APE8-dihe-in -105.27, 116.97 APE8-rot-in 303.55 APE67-dihe-in -59.93, -21.1 -42.27, -49.33 APE12-dist-in 9.374 APE11-dist-in 11.446 APE10-dist-in 5.577 APE9-dist-in 3.682 None None None XRAY 2.351 0.196 0.238 A 847 800 6 0 0 0 [[534, 791]] 1.0 4rz7 Plasmodium vivax AGC_PKG_PLAVS AGC 1.3e-75 260.5 3 260 258 674 675 676 678 680 563 582 586 654 656 655 657 711 699 694 693 692 691 690 689 688 612 cGMP-dependent protein kinase
CAMK CDPK1 Q9BJF5_TOXGO 4IFGA Q9BJF5 44 507 507.0 1E8:601 Type1 Inactive None 11.388 17.47 None -102.02, 157.08 79.68, 7.53 -53.29, 126.96 250.72, 102.09 95.39, -5.78 out-out out 14.424 Saltbr-out 15.741 HRD-in -75.76, -54.27 76.43, -26.51 out-out-out SNCooo out-out ActLoopNT-out 5.488 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iooo APE10-dihe-na -48.14, 117.77 APE9-dihe-na 79.36, 5.85 APE8-dihe-out -76.18, -34.42 APE8-rot-out 55.95 APE67-dihe-in -59.35, -30.88 -59.09, -33.74 APE12-dist-in 13.633 APE11-dist-out 15.991 APE10-dist-out 18.221 APE9-dist-out 12.061 None None None XRAY 2.11 0.213 0.266 A 507 452 0 0 0 0 [[51, 308]] 1.0 4ifg Toxoplasma gondii CAMK_CDPK1_TOXGO CAMK 5.2e-90 307.5 1 256 256 194 195 196 198 200 80 99 103 171 173 172 174 232 221 216 215 214 213 212 211 210 129 non-specific serine/threonine protein kinase

Ligand: 1E8 (Ibrutinib, Imbruvica)

Total number of chains: 6
Active chains: 0
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 4 66.7% 6L8LA
DFGin ABAminus 1 16.7% 4RZ7A
None None 1 16.7% 4IFGA
All chains - renumbered by
Uniprot PDB Alignment

Hover over column headers for tooltip help

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 6L8LA P00523 261 533 533.0 1E8:600 Type1 Inactive DFGin 6.613 12.393 BLAplus -128.39, 176.74 59.89, 42.57 -81.67, -47.16 26.02, 77.75 -90.78, 59.54 out-out out 13.281 Saltbr-out 8.996 HRD-out -112.91, 94.84 -65.96, -12.75 out-out-out SNCooo out-out ActLoopNT-out 10.905 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 154.93 APE8-dihe-in -66.43, 81.82 APE8-rot-na 23.97 APE67-dihe-in -74.59, -14.4 -67.09, -25.67 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.439 None None None XRAY 2.888 0.241 0.286 A 286 258 15 0 0 14 [[267, 518]] 1.0 6l8l Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 6L8LB P00523 263 533 533.0 1E8:600 Type1 Inactive DFGin 7.272 12.647 BLAplus -135.39, 168.8 45.8, 47.25 -72.83, -15.87 33.81, 82.73 -114.1, 102.93 out-out out 13.04 Saltbr-out 11.753 HRD-out -115.57, 103.9 -67.67, -21.24 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, -35.26 APE8-dihe-in -86.37, 80.85 APE8-rot-na 32.34 APE67-dihe-in -57.51, -25.11 -78.49, -21.29 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.605 None None None XRAY 2.888 0.241 0.286 B 286 256 15 0 0 15 [[267, 518]] 1.0 6l8l Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 6L8LC P00523 261 533 533.0 1E8:600 Type1 Inactive DFGin 7.436 12.63 BLAplus -123.3, 172.86 47.86, 52.84 -82.66, -35.69 22.03, 80.29 -93.8, 100.14 out-out out 13.774 Saltbr-out 13.993 HRD-out -110.42, 102.19 -69.26, -16.44 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, 155.19 APE8-dihe-in -67.0, 80.81 APE8-rot-na 25.52 APE67-dihe-in -70.64, -14.63 -74.01, -19.95 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.431 None None None XRAY 2.888 0.241 0.286 C 286 258 15 0 0 15 [[267, 518]] 1.0 6l8l Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
TYR SRC SRC_CHICK 6L8LD P00523 262 533 533.0 1E8:600 Type1 Inactive DFGin 7.492 12.685 BLAplus -129.6, 165.69 60.62, 47.62 -85.92, -20.83 32.22, 78.54 -110.16, 41.22 out-out out 13.348 Saltbr-out 9.949 HRD-out -113.41, 98.94 -68.83, -17.88 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, -41.96 APE8-dihe-in -78.05, 81.62 APE8-rot-na 30.74 APE67-dihe-in -65.69, -24.37 -78.81, -15.98 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 9.649 None None None XRAY 2.888 0.241 0.286 D 286 256 16 0 0 15 [[267, 518]] 1.0 6l8l Gallus gallus TYR_SRC_CHICK TYR 3.4e-94 320.9 1 260 260 403 404 405 407 409 295 310 314 383 385 384 386 444 432 427 426 425 424 423 422 421 339 Proto-oncogene tyrosine-protein kinase Src
AGC PKG KGP_PLAVS 4RZ7A A5K0N4 1 815 846.0 1E8:60901 Type1 Inactive DFGin 6.254 14.92 ABAminus -127.99, -26.95 -105.77, 109.19 -105.96, 15.72 281.24, 84.16 -49.79, -42.31 out-out out 11.022 Saltbr-out 4.807 HRD-in -73.51, -51.78 72.97, -5.78 out-in-in SNCoii in-in ActLoopNT-in 2.762 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -143.06, 145.02 APE9-dihe-na 136.49, -173.52 APE8-dihe-in -105.27, 116.97 APE8-rot-in 303.55 APE67-dihe-in -59.93, -21.1 -42.27, -49.33 APE12-dist-in 9.374 APE11-dist-in 11.446 APE10-dist-in 5.577 APE9-dist-in 3.682 None None None XRAY 2.351 0.196 0.238 A 847 800 6 0 0 0 [[534, 791]] 1.0 4rz7 Plasmodium vivax AGC_PKG_PLAVS AGC 1.3e-75 260.5 3 260 258 674 675 676 678 680 563 582 586 654 656 655 657 711 699 694 693 692 691 690 689 688 612 cGMP-dependent protein kinase
CAMK CDPK1 Q9BJF5_TOXGO 4IFGA Q9BJF5 44 507 507.0 1E8:601 Type1 Inactive None 11.388 17.47 None -102.02, 157.08 79.68, 7.53 -53.29, 126.96 250.72, 102.09 95.39, -5.78 out-out out 14.424 Saltbr-out 15.741 HRD-in -75.76, -54.27 76.43, -26.51 out-out-out SNCooo out-out ActLoopNT-out 5.488 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_iooo APE10-dihe-na -48.14, 117.77 APE9-dihe-na 79.36, 5.85 APE8-dihe-out -76.18, -34.42 APE8-rot-out 55.95 APE67-dihe-in -59.35, -30.88 -59.09, -33.74 APE12-dist-in 13.633 APE11-dist-out 15.991 APE10-dist-out 18.221 APE9-dist-out 12.061 None None None XRAY 2.11 0.213 0.266 A 507 452 0 0 0 0 [[51, 308]] 1.0 4ifg Toxoplasma gondii CAMK_CDPK1_TOXGO CAMK 5.2e-90 307.5 1 256 256 194 195 196 198 200 80 99 103 171 173 172 174 232 221 216 215 214 213 212 211 210 129 non-specific serine/threonine protein kinase