Ligand: B96 (Doramapimod)

Total number of chains: 13
Active chains: 0
Total number of genes: 7
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 7 53.8% 9CJ4A
DFGout None 6 46.2% 3NPCA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
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
CMGC MAPK11 MK11_HUMAN 8YGWA Q15759 5 348 364.0 B96:401 Type2 Inactive DFGout 15.7776 8.0324 None -154.18, 176.34 -133.21, 101.25 -66.5, -58.74 209.48, 123.65 73.31, 999.0 in-out in 8.6641 Saltbr-out 4.1574 HRD-in -77.27, -51.07 70.05, -0.17 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 156.6 APE8-dihe-out -66.2, -40.31 APE8-rot-in 293.43 APE67-dihe-in -59.87, -43.53 -59.39, -21.03 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.2397 None None None XRAY 3.301 0.209 0.278 A 364.0 326.0 18 25 12 13 [[24, 308]] 1.0 8ygw CMGC_MAPK11_HUMAN CMGC 1.1e-82 283.6 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK14 MK14_HUMAN 9CJ4A Q16539 5 352 360.0 B96:401 Type2 Inactive DFGout 15.34 9.2502 BBAminus -140.85, -174.89 -146.31, 104.15 -52.61, -47.17 266.98, 78.45 63.05, 28.98 in-in in 8.7329 Saltbr-in 2.7511 HRD-in -68.26, -51.49 71.88, -11.93 in-out-out SNCioo out-out ActLoopNT-out 16.6629 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oooo APE10-dihe-na -132.6, 106.16 APE9-dihe-na -83.05, 127.8 APE8-dihe-out -48.48, -41.43 APE8-rot-in 291.57 APE67-dihe-in -63.37, -26.47 -62.41, -24.06 APE12-dist-out 16.029 APE11-dist-out 15.1827 APE10-dist-out 13.118 APE9-dist-out 10.6363 None TPO180,PTR182 TPO180,PTR182 XRAY 1.8 0.162 0.199 A 360.0 336.0 12 25 18 7 [[24, 308]] 1.0 9cj4 CMGC_MAPK14_HUMAN CMGC 5.9e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 5N66A Q16539 6 353 360.0 BW1:401,B96:402 Allosteric,Type2 Inactive DFGout 15.2968 8.4235 None -139.77, 175.86 -130.8, 80.71 -75.53, 999.0 203.45, 0.89 999.0, 999.0 in-in in 9.3082 Saltbr-in 3.0902 HRD-in -75.99, -50.95 71.47, -11.96 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 102.5 APE9-dihe-na -77.27, 137.11 APE8-dihe-out -68.28, -33.89 APE8-rot-in 297.4 APE67-dihe-in -63.75, -24.17 -62.85, -21.89 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.8031 None None None XRAY 2.4 0.208 0.238 A 360.0 332.0 16 25 12 13 [[24, 308]] 1.0 5n66 CMGC_MAPK14_HUMAN CMGC 5.9e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 1KV2A Q16539 5 352 360.0 B96:391 Type2 Inactive DFGout 14.8152 8.959 None -153.25, -166.57 -152.53, 103.77 -62.95, 999.0 246.86, 90.74 999.0, 999.0 in-in in 8.3523 Saltbr-in 2.8201 HRD-in -55.42, -53.31 70.34, -10.39 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -176.94 APE8-rot-in 323.3 APE67-dihe-in -39.27, -35.13 -88.76, -27.38 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.245 0.318 A 360.0 325.0 23 25 10 15 [[24, 308]] 1.0 1kv2 CMGC_MAPK14_HUMAN CMGC 5.9e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK9 MK09_HUMAN 3NPCA P45984 7 363 424.0 B96:365 Type2 Inactive DFGout 16.2608 8.3584 None -139.83, -172.33 -137.56, 102.04 -94.21, 29.96 202.51, 3.67 -70.52, 123.49 in-in in 8.7874 Saltbr-in 2.7819 HRD-in -63.21, -51.14 76.28, -19.57 in-out-out SNCioo out-out ActLoopNT-out 18.12 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -138.95, 143.85 APE9-dihe-na -65.8, 148.18 APE8-dihe-out -71.0, -31.44 APE8-rot-in 300.79 APE67-dihe-in -61.63, -19.16 -39.46, -49.4 APE12-dist-out 15.242 APE11-dist-in 10.6756 APE10-dist-out 14.6749 APE9-dist-out 10.0627 D3K,C6V,S8N,Q14E,K203A,E204A,K250A,K251A None None XRAY 2.35 0.214 0.254 A 364.0 357.0 0 27 27 0 [[26, 321]] 1.0 3npc CMGC_MAPK9_HUMAN CMGC 8.2e-84 287.3 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 9
CMGC MAPK9 MK09_HUMAN 3NPCB P45984 8 363 424.0 B96:365 Type2 Inactive DFGout 16.0779 8.264 None -135.87, -171.64 -135.33, 101.97 -93.49, 35.85 201.57, 7.35 -76.94, 126.47 in-in in 8.7956 Saltbr-in 2.8183 HRD-in -70.1, -52.41 75.23, -11.54 in-out-out SNCioo out-out ActLoopNT-out 18.3658 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -133.7, 146.73 APE9-dihe-na -72.92, 154.59 APE8-dihe-out -76.44, -32.77 APE8-rot-in 304.48 APE67-dihe-in -65.26, -16.77 -40.53, -47.17 APE12-dist-out 15.4121 APE11-dist-in 10.7728 APE10-dist-out 14.7132 APE9-dist-out 10.3873 D3K,C6V,S8N,Q14E,K203A,E204A,K250A,K251A None None XRAY 2.35 0.214 0.254 B 364.0 356.0 0 27 27 0 [[26, 321]] 1.0 3npc CMGC_MAPK9_HUMAN CMGC 8.2e-84 287.3 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 9
STE STK10 STK10_HUMAN 6GTTA O94804 18 316 968.0 B96:60500 Type2 Inactive DFGout 14.3575 11.2504 BBAminus -122.71, -176.27 -164.19, 106.76 -94.52, 78.45 303.25, 45.24 -69.74, 999.0 in-in in 9.5273 Saltbr-in 2.9096 HRD-in -75.32, -62.48 89.24, -7.84 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanio APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -54.1 APE8-rot-in 307.29 APE67-dihe-out -65.46, -17.63 -89.59, 54.83 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.25 0.244 0.301 A 302.0 280.0 19 28 11 17 [[36, 294]] 1.0 6gtt STE_STK10_HUMAN STE 4.6e-94 320.5 1.0 257.0 257.0 174 175 176 178 180 65 81 85 154 156 155 157.0 219 202 197 196 195 194 193 192 191 111 Serine/threonine-protein kinase 10
TKL BRAF BRAF_HUMAN 4JVGA P15056 448 722 766.0 B96:801 Type2 Inactive DFGout 12.6014 12.1417 BBAminus -152.0, -179.18 -108.57, 103.11 -89.17, -11.63 297.68, 64.75 -65.51, 135.76 in-in in 8.0919 Saltbr-in 2.208 HRD-in -60.98, -42.98 82.63, -9.91 in-out-none SNCion out-none ActLoopNT-out 12.8964 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 139.14 APE8-rot-in 256.63 APE67-dihe-inflip 91.68, -19.72 -68.13, 164.89 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.09 0.235 0.295 A 284.0 262.0 13 30 17 13 [[457, 716]] 1.0 4jvg TKL_BRAF_HUMAN TKL 4.8e-84 288.0 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 BRAF BRAF_HUMAN 4JVGB P15056 448 722 766.0 B96:801 Type2 Inactive DFGout 12.8256 12.1842 BBAminus -174.75, 179.41 -102.42, 106.41 -90.9, -4.12 297.49, 49.02 -65.8, 122.16 in-in in 8.4594 Saltbr-in 2.7096 HRD-in -64.11, -47.16 78.18, -4.98 in-out-out SNCioo out-out ActLoopNT-out 13.769 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -160.08 APE8-rot-out 74.04 APE67-dihe-in -54.93, -35.08 -66.58, -46.12 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.09 0.235 0.295 B 284.0 259.0 16 30 14 16 [[457, 716]] 1.0 4jvg TKL_BRAF_HUMAN TKL 4.8e-84 288.0 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 BRAF BRAF_HUMAN 4JVGC P15056 448 722 766.0 B96:801 Type2 Inactive DFGout 12.8731 11.9256 BBAminus -170.55, 179.85 -107.23, 105.54 -90.8, -7.34 293.44, 58.77 -62.12, 118.99 in-in in 8.0749 Saltbr-in 3.1848 HRD-in -64.29, -46.36 80.05, -5.68 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 172.84 APE8-rot-in 258.15 APE67-dihe-in -55.16, -37.17 -69.96, -40.67 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.09 0.235 0.295 C 284.0 258.0 17 30 13 17 [[457, 716]] 1.0 4jvg TKL_BRAF_HUMAN TKL 4.8e-84 288.0 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 BRAF BRAF_HUMAN 4JVGD P15056 448 722 766.0 B96:801 Type2 Inactive DFGout 12.516 12.0217 BBAminus -150.99, -178.96 -114.25, 104.97 -92.99, -5.76 302.31, 60.74 -58.21, 124.26 in-in in 7.7077 Saltbr-in 2.9852 HRD-in -62.82, -47.42 78.22, -6.34 in-out-none SNCion out-none ActLoopNT-out 12.7492 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 171.09 APE8-rot-in 273.64 APE67-dihe-in -55.99, -27.69 -64.17, -43.04 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.09 0.235 0.295 D 284.0 262.0 13 30 17 13 [[457, 716]] 1.0 4jvg TKL_BRAF_HUMAN TKL 4.8e-84 288.0 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
TYR EPHA3 EPHA3_HUMAN 4TWNA P29320 609 904 983.0 B96:61001 Type2 Inactive DFGout 14.9862 9.5734 None -134.69, 178.86 -131.05, 59.68 -53.31, -39.8 189.13, 20.76 -55.32, -51.3 in-in in 7.8883 Saltbr-in 2.7421 HRD-in -68.13, -51.37 74.28, -15.64 in-out-none SNCion out-none ActLoopNT-out 15.4002 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 144.68 APE9-dihe-in -85.61, 124.0 APE8-dihe-in -68.13, 87.14 APE8-rot-na 27.02 APE67-dihe-in -60.95, -25.35 -49.7, -47.1 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 10.9511 APE9-dist-in 6.7035 None None None XRAY 1.706 0.179 0.213 A 361.0 275.0 15 31 16 15 [[621, 880]] 1.0 4twn TYR_EPHA3_HUMAN TYR 9.8e-111 375.2 2.0 261.0 260.0 763 764 765 767 769 653 670 674 743 745 744 746.0 806 794 789 788 787 786 785 784 783 700 Ephrin type-A receptor 3
TYR PTK2B FAK2_HUMAN 3FZSA Q14289 420 690 1009.0 B96:999 Type2 Inactive DFGout 12.641 12.4442 BBAminus -127.47, -169.01 -143.4, 93.19 -98.42, 0.88 314.47, 143.45 166.67, 999.0 in-in in 7.2782 Saltbr-in 2.8064 HRD-in -80.03, -52.45 81.61, -5.72 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 146.94 APE8-dihe-in -78.53, 64.45 APE8-rot-na 27.86 APE67-dihe-in -71.99, -8.0 -49.85, -42.76 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.6317 None None None XRAY 1.75 0.192 0.224 A 277.0 254.0 17 29 12 17 [[425, 681]] 1.0 3fzs TYR_PTK2B_HUMAN TYR 2.4e-92 314.8 2.0 260.0 259.0 566 567 568 570 572 457 474 478 546 548 547 549.0 607 595 590 589 588 587 586 585 584 503 Protein-tyrosine kinase 2-beta

Ligand: B96 (Doramapimod)

Total number of chains: 13
Active chains: 0
Total number of genes: 7
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 7 53.8% 9CJ4A
DFGout None 6 46.2% 3NPCA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
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
CMGC MAPK11 MK11_HUMAN 8YGWA Q15759 5 348 364.0 B96:401 Type2 Inactive DFGout 15.7776 8.0324 None -154.18, 176.34 -133.21, 101.25 -66.5, -58.74 209.48, 123.65 73.31, 999.0 in-out in 8.6641 Saltbr-out 4.1574 HRD-in -77.27, -51.07 70.05, -0.17 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 156.6 APE8-dihe-out -66.2, -40.31 APE8-rot-in 293.43 APE67-dihe-in -59.87, -43.53 -59.39, -21.03 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.2397 None None None XRAY 3.301 0.209 0.278 A 364.0 326.0 18 25 12 13 [[24, 308]] 1.0 8ygw Homo sapiens CMGC_MAPK11_HUMAN CMGC 1.1e-82 283.6 4.0 301.0 298.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 11
CMGC MAPK14 MK14_HUMAN 9CJ4A Q16539 5 352 360.0 B96:401 Type2 Inactive DFGout 15.34 9.2502 BBAminus -140.85, -174.89 -146.31, 104.15 -52.61, -47.17 266.98, 78.45 63.05, 28.98 in-in in 8.7329 Saltbr-in 2.7511 HRD-in -68.26, -51.49 71.88, -11.93 in-out-out SNCioo out-out ActLoopNT-out 16.6629 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oooo APE10-dihe-na -132.6, 106.16 APE9-dihe-na -83.05, 127.8 APE8-dihe-out -48.48, -41.43 APE8-rot-in 291.57 APE67-dihe-in -63.37, -26.47 -62.41, -24.06 APE12-dist-out 16.029 APE11-dist-out 15.1827 APE10-dist-out 13.118 APE9-dist-out 10.6363 None TPO180,PTR182 TPO180,PTR182 XRAY 1.8 0.162 0.199 A 360.0 336.0 12 25 18 7 [[24, 308]] 1.0 9cj4 Homo sapiens CMGC_MAPK14_HUMAN CMGC 5.9e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 5N66A Q16539 6 353 360.0 BW1:401,B96:402 Allosteric,Type2 Inactive DFGout 15.2968 8.4235 None -139.77, 175.86 -130.8, 80.71 -75.53, 999.0 203.45, 0.89 999.0, 999.0 in-in in 9.3082 Saltbr-in 3.0902 HRD-in -75.99, -50.95 71.47, -11.96 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 102.5 APE9-dihe-na -77.27, 137.11 APE8-dihe-out -68.28, -33.89 APE8-rot-in 297.4 APE67-dihe-in -63.75, -24.17 -62.85, -21.89 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.8031 None None None XRAY 2.4 0.208 0.238 A 360.0 332.0 16 25 12 13 [[24, 308]] 1.0 5n66 Homo sapiens CMGC_MAPK14_HUMAN CMGC 5.9e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 1KV2A Q16539 5 352 360.0 B96:391 Type2 Inactive DFGout 14.8152 8.959 None -153.25, -166.57 -152.53, 103.77 -62.95, 999.0 246.86, 90.74 999.0, 999.0 in-in in 8.3523 Saltbr-in 2.8201 HRD-in -55.42, -53.31 70.34, -10.39 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -176.94 APE8-rot-in 323.3 APE67-dihe-in -39.27, -35.13 -88.76, -27.38 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.245 0.318 A 360.0 325.0 23 25 10 15 [[24, 308]] 1.0 1kv2 Homo sapiens CMGC_MAPK14_HUMAN CMGC 5.9e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK9 MK09_HUMAN 3NPCA P45984 7 363 424.0 B96:365 Type2 Inactive DFGout 16.2608 8.3584 None -139.83, -172.33 -137.56, 102.04 -94.21, 29.96 202.51, 3.67 -70.52, 123.49 in-in in 8.7874 Saltbr-in 2.7819 HRD-in -63.21, -51.14 76.28, -19.57 in-out-out SNCioo out-out ActLoopNT-out 18.12 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -138.95, 143.85 APE9-dihe-na -65.8, 148.18 APE8-dihe-out -71.0, -31.44 APE8-rot-in 300.79 APE67-dihe-in -61.63, -19.16 -39.46, -49.4 APE12-dist-out 15.242 APE11-dist-in 10.6756 APE10-dist-out 14.6749 APE9-dist-out 10.0627 D3K,C6V,S8N,Q14E,K203A,E204A,K250A,K251A None None XRAY 2.35 0.214 0.254 A 364.0 357.0 0 27 27 0 [[26, 321]] 1.0 3npc Homo sapiens CMGC_MAPK9_HUMAN CMGC 8.2e-84 287.3 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 9
CMGC MAPK9 MK09_HUMAN 3NPCB P45984 8 363 424.0 B96:365 Type2 Inactive DFGout 16.0779 8.264 None -135.87, -171.64 -135.33, 101.97 -93.49, 35.85 201.57, 7.35 -76.94, 126.47 in-in in 8.7956 Saltbr-in 2.8183 HRD-in -70.1, -52.41 75.23, -11.54 in-out-out SNCioo out-out ActLoopNT-out 18.3658 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -133.7, 146.73 APE9-dihe-na -72.92, 154.59 APE8-dihe-out -76.44, -32.77 APE8-rot-in 304.48 APE67-dihe-in -65.26, -16.77 -40.53, -47.17 APE12-dist-out 15.4121 APE11-dist-in 10.7728 APE10-dist-out 14.7132 APE9-dist-out 10.3873 D3K,C6V,S8N,Q14E,K203A,E204A,K250A,K251A None None XRAY 2.35 0.214 0.254 B 364.0 356.0 0 27 27 0 [[26, 321]] 1.0 3npc Homo sapiens CMGC_MAPK9_HUMAN CMGC 8.2e-84 287.3 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 9
STE STK10 STK10_HUMAN 6GTTA O94804 18 316 968.0 B96:60500 Type2 Inactive DFGout 14.3575 11.2504 BBAminus -122.71, -176.27 -164.19, 106.76 -94.52, 78.45 303.25, 45.24 -69.74, 999.0 in-in in 9.5273 Saltbr-in 2.9096 HRD-in -75.32, -62.48 89.24, -7.84 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanio APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -54.1 APE8-rot-in 307.29 APE67-dihe-out -65.46, -17.63 -89.59, 54.83 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.25 0.244 0.301 A 302.0 280.0 19 28 11 17 [[36, 294]] 1.0 6gtt Homo sapiens STE_STK10_HUMAN STE 4.6e-94 320.5 1.0 257.0 257.0 174 175 176 178 180 65 81 85 154 156 155 157.0 219 202 197 196 195 194 193 192 191 111 Serine/threonine-protein kinase 10
TKL BRAF BRAF_HUMAN 4JVGA P15056 448 722 766.0 B96:801 Type2 Inactive DFGout 12.6014 12.1417 BBAminus -152.0, -179.18 -108.57, 103.11 -89.17, -11.63 297.68, 64.75 -65.51, 135.76 in-in in 8.0919 Saltbr-in 2.208 HRD-in -60.98, -42.98 82.63, -9.91 in-out-none SNCion out-none ActLoopNT-out 12.8964 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 139.14 APE8-rot-in 256.63 APE67-dihe-inflip 91.68, -19.72 -68.13, 164.89 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.09 0.235 0.295 A 284.0 262.0 13 30 17 13 [[457, 716]] 1.0 4jvg Homo sapiens TKL_BRAF_HUMAN TKL 4.8e-84 288.0 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 BRAF BRAF_HUMAN 4JVGB P15056 448 722 766.0 B96:801 Type2 Inactive DFGout 12.8256 12.1842 BBAminus -174.75, 179.41 -102.42, 106.41 -90.9, -4.12 297.49, 49.02 -65.8, 122.16 in-in in 8.4594 Saltbr-in 2.7096 HRD-in -64.11, -47.16 78.18, -4.98 in-out-out SNCioo out-out ActLoopNT-out 13.769 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -160.08 APE8-rot-out 74.04 APE67-dihe-in -54.93, -35.08 -66.58, -46.12 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.09 0.235 0.295 B 284.0 259.0 16 30 14 16 [[457, 716]] 1.0 4jvg Homo sapiens TKL_BRAF_HUMAN TKL 4.8e-84 288.0 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 BRAF BRAF_HUMAN 4JVGC P15056 448 722 766.0 B96:801 Type2 Inactive DFGout 12.8731 11.9256 BBAminus -170.55, 179.85 -107.23, 105.54 -90.8, -7.34 293.44, 58.77 -62.12, 118.99 in-in in 8.0749 Saltbr-in 3.1848 HRD-in -64.29, -46.36 80.05, -5.68 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 172.84 APE8-rot-in 258.15 APE67-dihe-in -55.16, -37.17 -69.96, -40.67 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.09 0.235 0.295 C 284.0 258.0 17 30 13 17 [[457, 716]] 1.0 4jvg Homo sapiens TKL_BRAF_HUMAN TKL 4.8e-84 288.0 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 BRAF BRAF_HUMAN 4JVGD P15056 448 722 766.0 B96:801 Type2 Inactive DFGout 12.516 12.0217 BBAminus -150.99, -178.96 -114.25, 104.97 -92.99, -5.76 302.31, 60.74 -58.21, 124.26 in-in in 7.7077 Saltbr-in 2.9852 HRD-in -62.82, -47.42 78.22, -6.34 in-out-none SNCion out-none ActLoopNT-out 12.7492 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 171.09 APE8-rot-in 273.64 APE67-dihe-in -55.99, -27.69 -64.17, -43.04 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 I543A,I544S,I551K,Q562R,L588N,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 3.09 0.235 0.295 D 284.0 262.0 13 30 17 13 [[457, 716]] 1.0 4jvg Homo sapiens TKL_BRAF_HUMAN TKL 4.8e-84 288.0 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
TYR EPHA3 EPHA3_HUMAN 4TWNA P29320 609 904 983.0 B96:61001 Type2 Inactive DFGout 14.9862 9.5734 None -134.69, 178.86 -131.05, 59.68 -53.31, -39.8 189.13, 20.76 -55.32, -51.3 in-in in 7.8883 Saltbr-in 2.7421 HRD-in -68.13, -51.37 74.28, -15.64 in-out-none SNCion out-none ActLoopNT-out 15.4002 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, 144.68 APE9-dihe-in -85.61, 124.0 APE8-dihe-in -68.13, 87.14 APE8-rot-na 27.02 APE67-dihe-in -60.95, -25.35 -49.7, -47.1 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 10.9511 APE9-dist-in 6.7035 None None None XRAY 1.706 0.179 0.213 A 361.0 275.0 15 31 16 15 [[621, 880]] 1.0 4twn Homo sapiens TYR_EPHA3_HUMAN TYR 9.8e-111 375.2 2.0 261.0 260.0 763 764 765 767 769 653 670 674 743 745 744 746.0 806 794 789 788 787 786 785 784 783 700 Ephrin type-A receptor 3
TYR PTK2B FAK2_HUMAN 3FZSA Q14289 420 690 1009.0 B96:999 Type2 Inactive DFGout 12.641 12.4442 BBAminus -127.47, -169.01 -143.4, 93.19 -98.42, 0.88 314.47, 143.45 166.67, 999.0 in-in in 7.2782 Saltbr-in 2.8064 HRD-in -80.03, -52.45 81.61, -5.72 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 146.94 APE8-dihe-in -78.53, 64.45 APE8-rot-na 27.86 APE67-dihe-in -71.99, -8.0 -49.85, -42.76 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.6317 None None None XRAY 1.75 0.192 0.224 A 277.0 254.0 17 29 12 17 [[425, 681]] 1.0 3fzs Homo sapiens TYR_PTK2B_HUMAN TYR 2.4e-92 314.8 2.0 260.0 259.0 566 567 568 570 572 457 474 478 546 548 547 549.0 607 595 590 589 588 587 586 585 584 503 Protein-tyrosine kinase 2-beta

Ligand: B96 (Doramapimod)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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