Ligand: BAX (Sorafenib, Nexavar)

Total number of chains: 10
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 10 100.0% 3WZEA

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 CDK8 CDK8_HUMAN 3RGFA P49336 1 353 464.0 BAX:60465 Type2 Inactive DFGout 15.09 10.864 BBAminus -128.79, 167.92 -135.88, 84.21 -83.29, -7.22 304.7, 18.84 -121.06, 44.25 in-out in 9.37 Saltbr-out 4.852 HRD-in -76.1, -55.23 78.73, 2.83 out-out-out SNCooo out-out ActLoopNT-out 12.224 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 133.12 APE8-dihe-in -111.84, 132.17 APE8-rot-out 185.32 APE67-dihe-in -67.42, -19.98 -109.35, 18.38 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.637 None None None XRAY 2.2 0.183 0.221 A 405 319 34 0 0 16 [[22, 335]] 1.0 3rgf CMGC_CDK8_HUMAN CMGC 5.9e-82 281.4 5 301 297 172 173 174 176 178 52 66 70 148 150 149 151 216 203 198 197 196 195 194 193 192 98 Cyclin-dependent kinase 8
CMGC MAPK14 MK14_HUMAN 3GCSA Q16539 5 352 360.0 BAX:401 Type2 Inactive DFGout 13.802 11.22 BBAminus -148.91, -179.17 -135.91, 107.56 -69.03, -19.52 281.41, 117.73 85.38, 999.0 in-out in 9.701 Saltbr-out 5.062 HRD-in -66.45, -55.11 82.51, -13.77 out-none-none SNConn 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, 135.89 APE8-rot-in 262.05 APE67-dihe-in -67.03, -18.78 -100.06, 9.98 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C119S,C162S,A172C,F327L None None XRAY 2.1 0.204 0.262 A 360 331 17 0 0 14 [[24, 308]] 1.0 3gcs CMGC_MAPK14_HUMAN CMGC 4.4e-84 288.3 1 301 301 167 168 169 171 173 53 71 75 147 149 148 150 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3HEGA Q16539 5 352 360.0 BAX:1 Type2 Inactive DFGout 13.98 10.416 BBAminus -138.78, -176.3 -143.83, 112.16 -66.98, -96.1 288.65, 119.82 123.84, 999.0 in-in in 9.618 Saltbr-in 3.008 HRD-in -67.99, -50.51 67.42, -7.32 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na -161.71, 88.05 APE9-dihe-na -78.71, 132.75 APE8-dihe-out -59.19, -30.56 APE8-rot-in 282.81 APE67-dihe-in -52.86, -23.91 -65.83, -36.74 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.854 None None None XRAY 2.2 0.24 0.309 A 348 333 15 0 0 11 [[24, 308]] 1.0 3heg CMGC_MAPK14_HUMAN CMGC 5.2e-85 291.3 1 301 301 167 168 169 171 173 53 71 75 147 149 148 150 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
TKL BRAF BRAF_HUMAN 5HI2A P15056 449 721 766.0 BAX:801 Type2 Inactive DFGout 12.342 11.652 BBAminus -149.96, -163.11 -123.43, 99.25 -92.3, 0.56 291.37, 69.87 -68.92, 152.82 in-in in 8.093 Saltbr-in 2.759 HRD-in -69.01, -47.24 79.78, -21.21 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, 20.66 APE8-rot-in 304.3 APE67-dihe-in -43.41, -33.84 -68.26, -34.39 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 2.512 0.191 0.237 A 283 247 21 0 0 18 [[457, 716]] 1.0 5hi2 TKL_BRAF_HUMAN TKL 2.7e-82 282.3 4 267 264 593 594 595 597 599 483 501 505 573 575 574 576 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWJA P15056 448 723 766.0 BAX:61723 Type2 Inactive DFGout 12.472 11.399 BBAminus -166.47, 179.42 -106.43, 75.02 -68.47, 24.79 296.03, 53.21 -94.41, 168.9 in-in in 8.03 Saltbr-in 2.628 HRD-in -71.1, -39.74 67.88, -2.3 in-out-out SNCioo out-out ActLoopNT-out 14.476 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -8.12 APE8-dihe-in -179.1, 96.45 APE8-rot-out 67.95 APE67-dihe-in -46.32, -38.84 -93.37, -26.17 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.063 V600E None None XRAY 3.5 0.275 0.357 A 276 264 12 0 0 12 [[457, 716]] 1.0 1uwj TKL_BRAF_HUMAN TKL 7.6e-82 280.7 4 266 263 593 594 595 597 599 483 501 505 573 575 574 576 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWJB P15056 448 723 766.0 BAX:61723 Type2 Inactive DFGout 12.471 11.42 BBAminus -165.41, 177.79 -106.4, 76.01 -68.12, 23.11 295.71, 53.18 -92.84, 169.18 in-in in 8.023 Saltbr-in 2.55 HRD-in -72.21, -38.76 66.05, -0.46 in-out-out SNCioo out-out ActLoopNT-out 14.414 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -129.57 APE8-dihe-in -120.6, 126.56 APE8-rot-out 201.87 APE67-dihe-in -46.86, -38.56 -98.38, -30.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.281 V600E None None XRAY 3.5 0.275 0.357 B 276 263 13 0 0 13 [[457, 716]] 1.0 1uwj TKL_BRAF_HUMAN TKL 7.6e-82 280.7 4 266 263 593 594 595 597 599 483 501 505 573 575 574 576 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWHA P15056 448 723 766.0 BAX:61723 Type2 Inactive DFGout 12.495 11.481 BBAminus -173.91, -166.78 -121.32, 89.16 -83.23, 16.41 301.34, 66.03 -83.78, 148.03 in-in in 8.456 Saltbr-in 2.989 HRD-in -65.62, -55.23 80.22, -7.91 in-out-out SNCioo out-out ActLoopNT-out 14.57 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -61.57, 175.06 APE9-dihe-na 174.29, 130.89 APE8-dihe-in -93.46, 78.64 APE8-rot-out 46.11 APE67-dihe-in -63.44, -27.03 -60.72, -32.82 APE12-dist-none 999.0 APE11-dist-in 11.595 APE10-dist-out 8.374 APE9-dist-out 8.656 None None None XRAY 2.95 0.222 0.257 A 276 264 12 0 0 12 [[457, 716]] 1.0 1uwh TKL_BRAF_HUMAN TKL 1.8e-81 279.5 4 266 263 593 594 595 597 599 483 501 505 573 575 574 576 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWHB P15056 448 723 766.0 BAX:61723 Type2 Inactive DFGout 12.495 11.491 BBAminus -173.56, -167.09 -121.29, 88.77 -83.17, 16.44 301.44, 65.99 -83.54, 148.34 in-in in 8.438 Saltbr-in 2.963 HRD-in -65.94, -55.1 80.05, -8.58 in-out-out SNCioo out-out ActLoopNT-out 14.988 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -54.44, 165.53 APE9-dihe-na -176.68, 134.04 APE8-dihe-in -91.08, 81.56 APE8-rot-out 44.97 APE67-dihe-in -53.91, -27.06 -61.59, -40.98 APE12-dist-none 999.0 APE11-dist-in 11.198 APE10-dist-out 8.711 APE9-dist-out 9.032 None None None XRAY 2.95 0.222 0.257 B 276 264 12 0 0 12 [[457, 716]] 1.0 1uwh TKL_BRAF_HUMAN TKL 1.8e-81 279.5 4 266 263 593 594 595 597 599 483 501 505 573 575 574 576 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TYR KDR VGFR2_HUMAN 3WZEA P35968 815 1167 1356.0 BAX:1201 Type2 Inactive DFGout 15.423 9.724 BBAminus -149.68, 178.07 -142.38, 105.98 -66.68, -30.19 278.49, 88.73 48.89, -116.05 in-in in 7.489 Saltbr-in 2.791 HRD-in -80.41, -52.96 79.37, -11.85 in-out-out SNCioo out-out ActLoopNT-out 16.658 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -114.24, 115.23 APE9-dihe-in -125.6, 147.79 APE8-dihe-in -77.19, 70.99 APE8-rot-na 33.48 APE67-dihe-in -66.14, -18.73 -60.64, -36.14 APE12-dist-na 999.0 APE11-dist-na 13.7 APE10-dist-na 11.342 APE9-dist-out 8.081 T940V None None XRAY 1.9 0.188 0.224 A 309 298 5 0 0 1 [[834, 1162]] 1.0 3wze TYR_KDR_HUMAN TYR 3.7e-100 340.4 1 260 260 1045 1046 1047 1049 1051 868 885 889 1025 1027 1026 1028 1087 1075 1070 1069 1068 1067 1066 1065 1064 917 Vascular endothelial growth factor receptor 2
TYR KDR VGFR2_HUMAN 4ASDA P35968 807 1168 1356.0 BAX:1500 Type2 Inactive DFGout 15.598 9.565 BBAminus -143.46, -179.3 -143.72, 107.55 -61.84, -34.25 277.42, 87.13 55.65, -120.32 in-in in 7.584 Saltbr-in 2.914 HRD-in -94.7, -57.23 78.86, -11.11 in-out-in SNCioi out-in ActLoopNT-out 16.565 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -117.01, 114.08 APE9-dihe-in -124.4, 147.41 APE8-dihe-in -79.65, 63.41 APE8-rot-na 32.33 APE67-dihe-in -69.55, -12.31 -53.55, -35.42 APE12-dist-na 16.044 APE11-dist-na 13.431 APE10-dist-na 11.456 APE9-dist-in 7.976 E990V None None XRAY 2.03 0.178 0.23 A 353 305 7 0 0 0 [[834, 1162]] 1.0 4asd TYR_KDR_HUMAN TYR 6e-100 339.8 1 260 260 1045 1046 1047 1049 1051 868 885 889 1025 1027 1026 1028 1087 1075 1070 1069 1068 1067 1066 1065 1064 917 Vascular endothelial growth factor receptor 2

Ligand: BAX (Sorafenib, Nexavar)

Total number of chains: 10
Active chains: 0
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 10 100.0% 3WZEA

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 CDK8 CDK8_HUMAN 3RGFA P49336 1 353 464.0 BAX:60465 Type2 Inactive DFGout 15.09 10.864 BBAminus -128.79, 167.92 -135.88, 84.21 -83.29, -7.22 304.7, 18.84 -121.06, 44.25 in-out in 9.37 Saltbr-out 4.852 HRD-in -76.1, -55.23 78.73, 2.83 out-out-out SNCooo out-out ActLoopNT-out 12.224 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 133.12 APE8-dihe-in -111.84, 132.17 APE8-rot-out 185.32 APE67-dihe-in -67.42, -19.98 -109.35, 18.38 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.637 None None None XRAY 2.2 0.183 0.221 A 405 319 34 0 0 16 [[22, 335]] 1.0 3rgf Homo sapiens CMGC_CDK8_HUMAN CMGC 5.9e-82 281.4 5 301 297 172 173 174 176 178 52 66 70 148 150 149 151 216 203 198 197 196 195 194 193 192 98 Cyclin-dependent kinase 8
CMGC MAPK14 MK14_HUMAN 3GCSA Q16539 5 352 360.0 BAX:401 Type2 Inactive DFGout 13.802 11.22 BBAminus -148.91, -179.17 -135.91, 107.56 -69.03, -19.52 281.41, 117.73 85.38, 999.0 in-out in 9.701 Saltbr-out 5.062 HRD-in -66.45, -55.11 82.51, -13.77 out-none-none SNConn 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, 135.89 APE8-rot-in 262.05 APE67-dihe-in -67.03, -18.78 -100.06, 9.98 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C119S,C162S,A172C,F327L None None XRAY 2.1 0.204 0.262 A 360 331 17 0 0 14 [[24, 308]] 1.0 3gcs Homo sapiens CMGC_MAPK14_HUMAN CMGC 4.4e-84 288.3 1 301 301 167 168 169 171 173 53 71 75 147 149 148 150 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 3HEGA Q16539 5 352 360.0 BAX:1 Type2 Inactive DFGout 13.98 10.416 BBAminus -138.78, -176.3 -143.83, 112.16 -66.98, -96.1 288.65, 119.82 123.84, 999.0 in-in in 9.618 Saltbr-in 3.008 HRD-in -67.99, -50.51 67.42, -7.32 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na -161.71, 88.05 APE9-dihe-na -78.71, 132.75 APE8-dihe-out -59.19, -30.56 APE8-rot-in 282.81 APE67-dihe-in -52.86, -23.91 -65.83, -36.74 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.854 None None None XRAY 2.2 0.24 0.309 A 348 333 15 0 0 11 [[24, 308]] 1.0 3heg Homo sapiens CMGC_MAPK14_HUMAN CMGC 5.2e-85 291.3 1 301 301 167 168 169 171 173 53 71 75 147 149 148 150 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
TKL BRAF BRAF_HUMAN 5HI2A P15056 449 721 766.0 BAX:801 Type2 Inactive DFGout 12.342 11.652 BBAminus -149.96, -163.11 -123.43, 99.25 -92.3, 0.56 291.37, 69.87 -68.92, 152.82 in-in in 8.093 Saltbr-in 2.759 HRD-in -69.01, -47.24 79.78, -21.21 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, 20.66 APE8-rot-in 304.3 APE67-dihe-in -43.41, -33.84 -68.26, -34.39 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 2.512 0.191 0.237 A 283 247 21 0 0 18 [[457, 716]] 1.0 5hi2 Homo sapiens TKL_BRAF_HUMAN TKL 2.7e-82 282.3 4 267 264 593 594 595 597 599 483 501 505 573 575 574 576 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWJA P15056 448 723 766.0 BAX:61723 Type2 Inactive DFGout 12.472 11.399 BBAminus -166.47, 179.42 -106.43, 75.02 -68.47, 24.79 296.03, 53.21 -94.41, 168.9 in-in in 8.03 Saltbr-in 2.628 HRD-in -71.1, -39.74 67.88, -2.3 in-out-out SNCioo out-out ActLoopNT-out 14.476 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -8.12 APE8-dihe-in -179.1, 96.45 APE8-rot-out 67.95 APE67-dihe-in -46.32, -38.84 -93.37, -26.17 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.063 V600E None None XRAY 3.5 0.275 0.357 A 276 264 12 0 0 12 [[457, 716]] 1.0 1uwj Homo sapiens TKL_BRAF_HUMAN TKL 7.6e-82 280.7 4 266 263 593 594 595 597 599 483 501 505 573 575 574 576 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWJB P15056 448 723 766.0 BAX:61723 Type2 Inactive DFGout 12.471 11.42 BBAminus -165.41, 177.79 -106.4, 76.01 -68.12, 23.11 295.71, 53.18 -92.84, 169.18 in-in in 8.023 Saltbr-in 2.55 HRD-in -72.21, -38.76 66.05, -0.46 in-out-out SNCioo out-out ActLoopNT-out 14.414 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -129.57 APE8-dihe-in -120.6, 126.56 APE8-rot-out 201.87 APE67-dihe-in -46.86, -38.56 -98.38, -30.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 9.281 V600E None None XRAY 3.5 0.275 0.357 B 276 263 13 0 0 13 [[457, 716]] 1.0 1uwj Homo sapiens TKL_BRAF_HUMAN TKL 7.6e-82 280.7 4 266 263 593 594 595 597 599 483 501 505 573 575 574 576 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWHA P15056 448 723 766.0 BAX:61723 Type2 Inactive DFGout 12.495 11.481 BBAminus -173.91, -166.78 -121.32, 89.16 -83.23, 16.41 301.34, 66.03 -83.78, 148.03 in-in in 8.456 Saltbr-in 2.989 HRD-in -65.62, -55.23 80.22, -7.91 in-out-out SNCioo out-out ActLoopNT-out 14.57 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -61.57, 175.06 APE9-dihe-na 174.29, 130.89 APE8-dihe-in -93.46, 78.64 APE8-rot-out 46.11 APE67-dihe-in -63.44, -27.03 -60.72, -32.82 APE12-dist-none 999.0 APE11-dist-in 11.595 APE10-dist-out 8.374 APE9-dist-out 8.656 None None None XRAY 2.95 0.222 0.257 A 276 264 12 0 0 12 [[457, 716]] 1.0 1uwh Homo sapiens TKL_BRAF_HUMAN TKL 1.8e-81 279.5 4 266 263 593 594 595 597 599 483 501 505 573 575 574 576 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 1UWHB P15056 448 723 766.0 BAX:61723 Type2 Inactive DFGout 12.495 11.491 BBAminus -173.56, -167.09 -121.29, 88.77 -83.17, 16.44 301.44, 65.99 -83.54, 148.34 in-in in 8.438 Saltbr-in 2.963 HRD-in -65.94, -55.1 80.05, -8.58 in-out-out SNCioo out-out ActLoopNT-out 14.988 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -54.44, 165.53 APE9-dihe-na -176.68, 134.04 APE8-dihe-in -91.08, 81.56 APE8-rot-out 44.97 APE67-dihe-in -53.91, -27.06 -61.59, -40.98 APE12-dist-none 999.0 APE11-dist-in 11.198 APE10-dist-out 8.711 APE9-dist-out 9.032 None None None XRAY 2.95 0.222 0.257 B 276 264 12 0 0 12 [[457, 716]] 1.0 1uwh Homo sapiens TKL_BRAF_HUMAN TKL 1.8e-81 279.5 4 266 263 593 594 595 597 599 483 501 505 573 575 574 576 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TYR KDR VGFR2_HUMAN 3WZEA P35968 815 1167 1356.0 BAX:1201 Type2 Inactive DFGout 15.423 9.724 BBAminus -149.68, 178.07 -142.38, 105.98 -66.68, -30.19 278.49, 88.73 48.89, -116.05 in-in in 7.489 Saltbr-in 2.791 HRD-in -80.41, -52.96 79.37, -11.85 in-out-out SNCioo out-out ActLoopNT-out 16.658 ActLoopCT-out TYR APEdihe_iiiai APEdist_aaao APE10-dihe-in -114.24, 115.23 APE9-dihe-in -125.6, 147.79 APE8-dihe-in -77.19, 70.99 APE8-rot-na 33.48 APE67-dihe-in -66.14, -18.73 -60.64, -36.14 APE12-dist-na 999.0 APE11-dist-na 13.7 APE10-dist-na 11.342 APE9-dist-out 8.081 T940V None None XRAY 1.9 0.188 0.224 A 309 298 5 0 0 1 [[834, 1162]] 1.0 3wze Homo sapiens TYR_KDR_HUMAN TYR 3.7e-100 340.4 1 260 260 1045 1046 1047 1049 1051 868 885 889 1025 1027 1026 1028 1087 1075 1070 1069 1068 1067 1066 1065 1064 917 Vascular endothelial growth factor receptor 2
TYR KDR VGFR2_HUMAN 4ASDA P35968 807 1168 1356.0 BAX:1500 Type2 Inactive DFGout 15.598 9.565 BBAminus -143.46, -179.3 -143.72, 107.55 -61.84, -34.25 277.42, 87.13 55.65, -120.32 in-in in 7.584 Saltbr-in 2.914 HRD-in -94.7, -57.23 78.86, -11.11 in-out-in SNCioi out-in ActLoopNT-out 16.565 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -117.01, 114.08 APE9-dihe-in -124.4, 147.41 APE8-dihe-in -79.65, 63.41 APE8-rot-na 32.33 APE67-dihe-in -69.55, -12.31 -53.55, -35.42 APE12-dist-na 16.044 APE11-dist-na 13.431 APE10-dist-na 11.456 APE9-dist-in 7.976 E990V None None XRAY 2.03 0.178 0.23 A 353 305 7 0 0 0 [[834, 1162]] 1.0 4asd Homo sapiens TYR_KDR_HUMAN TYR 6e-100 339.8 1 260 260 1045 1046 1047 1049 1051 868 885 889 1025 1027 1026 1028 1087 1075 1070 1069 1068 1067 1066 1065 1064 917 Vascular endothelial growth factor receptor 2

Ligand: BAX (Sorafenib, Nexavar)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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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