Ligand: AXI (Axitinib)

Total number of chains: 6
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 33.3% 4TWPB
DFGout BBAminus 2 33.3% 4AG8A
DFGout None 1 16.7% 4WA9B
None None 1 16.7% 4WA9A

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
TYR ABL1 ABL1_HUMAN 4TWPA P00519 233 503 1130.0 AXI:601 Type1 Active DFGin 6.8259 13.373 BLAminus -126.1, -169.4 57.38, 73.68 -93.34, 9.79 307.92, 111.58 -48.96, -36.81 in-in in 7.9815 Saltbr-in 2.4457 HRD-in -95.85, -58.6 83.7, -5.53 in-in-in SNCiii in-in ActLoopNT-in 2.9456 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -122.5, 146.64 APE9-dihe-in -124.84, 163.92 APE8-dihe-in -72.62, 90.26 APE8-rot-na 28.03 APE67-dihe-in -71.19, -17.43 -45.75, -44.99 APE12-dist-na 14.9888 APE11-dist-na 10.1946 APE10-dist-na 13.2123 APE9-dist-in 7.1681 T315I None None XRAY 2.4 0.213 0.241 A 271.0 266.0 5 29 29 0 [[242, 495]] 1.0 4twp TYR_ABL1_HUMAN TYR 4.4e-100 340.2 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_HUMAN 4TWPB P00519 233 503 1130.0 AXI:601 Type1 Active DFGin 6.7276 13.1173 BLAminus -138.14, -168.47 59.67, 66.52 -88.52, 8.05 307.93, 102.65 -49.29, -39.91 in-in in 7.7725 Saltbr-in 2.6482 HRD-in -82.31, -50.76 78.18, -18.83 in-in-in SNCiii in-in ActLoopNT-in 2.9595 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -126.57, 120.03 APE9-dihe-in -116.59, 156.81 APE8-dihe-in -66.81, 119.12 APE8-rot-na 347.15 APE67-dihe-in -70.99, -21.45 -67.92, -38.41 APE12-dist-na 15.2079 APE11-dist-na 10.6544 APE10-dist-na 13.0356 APE9-dist-in 6.8475 T315I None None XRAY 2.4 0.213 0.241 B 271.0 271.0 0 29 29 0 [[242, 495]] 1.0 4twp TYR_ABL1_HUMAN TYR 4.4e-100 340.2 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_HUMAN 4WA9B P00519 246 508 1130.0 AXI:69000 Type1 Inactive DFGout 13.3112 10.2815 None -75.93, 149.51 -77.88, -15.66 -59.19, 118.14 191.81, 69.86 106.96, -1.52 in-in in 7.643 Saltbr-in 2.0564 HRD-out -116.7, 121.02 -81.78, -7.12 in-out-in SNCioi out-in ActLoopNT-out 5.3274 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -127.35, 121.29 APE9-dihe-in -115.41, 155.9 APE8-dihe-in -66.84, 110.63 APE8-rot-na 32.52 APE67-dihe-in -70.78, -12.55 -43.03, -46.3 APE12-dist-na 18.4998 APE11-dist-na 13.938 APE10-dist-na 17.4982 APE9-dist-in 6.7106 None None None XRAY 2.2 0.175 0.212 B 286.0 263.0 0 29 29 0 [[242, 495]] 1.0 4wa9 TYR_ABL1_HUMAN TYR 2.7e-100 340.9 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_HUMAN 4WA9A P00519 246 504 1130.0 AXI:69000 Type1 Inactive None 999.0 10.3553 None -73.83, 149.34 -77.87, -21.14 -66.14, 121.84 190.75, 64.67 115.23, -11.12 none-none none 999.0 Saltbr-none 999.0 HRD-out -124.23, 124.72 -84.31, -3.72 none-out-in SNCnoi out-in ActLoopNT-out 5.4093 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -107.89, 135.91 APE9-dihe-in -108.88, 156.35 APE8-dihe-in -71.91, 93.83 APE8-rot-na 24.22 APE67-dihe-in -74.38, -8.52 -49.97, -43.55 APE12-dist-na 18.5615 APE11-dist-na 13.7767 APE10-dist-na 16.6613 APE9-dist-in 6.4914 None None None XRAY 2.2 0.175 0.212 A 286.0 236.0 23 29 29 0 [[242, 495]] 1.0 4wa9 TYR_ABL1_HUMAN TYR 2.7e-100 340.9 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 KDR VGFR2_HUMAN 4AG8A P35968 816 1168 1356.0 AXI:2000 Type1 Inactive DFGout 16.4966 10.362 BBAminus -143.7, -179.58 -144.17, 113.57 -60.35, -33.13 275.19, 77.68 54.27, -121.79 in-in in 7.5186 Saltbr-in 2.748 HRD-in -80.25, -53.16 76.08, -12.6 in-out-in SNCioi out-in ActLoopNT-out 16.5659 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -115.55, 111.08 APE9-dihe-in -116.46, 147.01 APE8-dihe-in -77.77, 66.25 APE8-rot-na 30.85 APE67-dihe-in -66.26, -17.06 -55.96, -37.76 APE12-dist-na 16.4565 APE11-dist-na 13.5132 APE10-dist-na 11.4728 APE9-dist-in 7.9832 E990V None None XRAY 1.95 0.197 0.241 A 316.0 296.0 7 30 30 0 [[834, 1162]] 1.0 4ag8 TYR_KDR_HUMAN TYR 4.1e-100 340.3 1.0 260.0 260.0 1045 1046 1047 1049 1051 868 885 889 1025 1027 1026 1028.0 1087 1075 1070 1069 1068 1067 1066 1065 1064 917 Vascular endothelial growth factor receptor 2
TYR KDR VGFR2_HUMAN 4AGCA P35968 801 1169 1356.0 AXI:2000 Type1.5_Back Inactive DFGout 16.3416 10.4506 BBAminus -142.09, -174.91 -148.19, 116.12 -63.13, -37.04 279.42, 73.43 58.39, -117.25 in-in in 7.3471 Saltbr-in 2.6694 HRD-out -119.32, 107.11 -77.42, 1.81 in-out-in SNCioi out-in ActLoopNT-out 16.5253 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -116.04, 119.4 APE9-dihe-in -126.34, 146.64 APE8-dihe-in -75.44, 63.67 APE8-rot-na 28.57 APE67-dihe-in -65.72, -15.94 -53.26, -41.15 APE12-dist-na 16.7577 APE11-dist-na 14.4263 APE10-dist-na 12.2303 APE9-dist-in 7.621 E990V None None XRAY 2.0 0.204 0.251 A 353.0 305.0 7 30 30 0 [[834, 1162]] 1.0 4agc TYR_KDR_HUMAN TYR 6e-100 339.8 1.0 260.0 260.0 1045 1046 1047 1049 1051 868 885 889 1025 1027 1026 1028.0 1087 1075 1070 1069 1068 1067 1066 1065 1064 917 Vascular endothelial growth factor receptor 2

Ligand: AXI (Axitinib)

Total number of chains: 6
Active chains: 2
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 33.3% 4TWPB
DFGout BBAminus 2 33.3% 4AG8A
DFGout None 1 16.7% 4WA9B
None None 1 16.7% 4WA9A

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 ABL1 ABL1_HUMAN 4TWPA P00519 233 503 1130.0 AXI:601 Type1 Active DFGin 6.8259 13.373 BLAminus -126.1, -169.4 57.38, 73.68 -93.34, 9.79 307.92, 111.58 -48.96, -36.81 in-in in 7.9815 Saltbr-in 2.4457 HRD-in -95.85, -58.6 83.7, -5.53 in-in-in SNCiii in-in ActLoopNT-in 2.9456 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -122.5, 146.64 APE9-dihe-in -124.84, 163.92 APE8-dihe-in -72.62, 90.26 APE8-rot-na 28.03 APE67-dihe-in -71.19, -17.43 -45.75, -44.99 APE12-dist-na 14.9888 APE11-dist-na 10.1946 APE10-dist-na 13.2123 APE9-dist-in 7.1681 T315I None None XRAY 2.4 0.213 0.241 A 271.0 266.0 5 29 29 0 [[242, 495]] 1.0 4twp Homo sapiens TYR_ABL1_HUMAN TYR 4.4e-100 340.2 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_HUMAN 4TWPB P00519 233 503 1130.0 AXI:601 Type1 Active DFGin 6.7276 13.1173 BLAminus -138.14, -168.47 59.67, 66.52 -88.52, 8.05 307.93, 102.65 -49.29, -39.91 in-in in 7.7725 Saltbr-in 2.6482 HRD-in -82.31, -50.76 78.18, -18.83 in-in-in SNCiii in-in ActLoopNT-in 2.9595 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -126.57, 120.03 APE9-dihe-in -116.59, 156.81 APE8-dihe-in -66.81, 119.12 APE8-rot-na 347.15 APE67-dihe-in -70.99, -21.45 -67.92, -38.41 APE12-dist-na 15.2079 APE11-dist-na 10.6544 APE10-dist-na 13.0356 APE9-dist-in 6.8475 T315I None None XRAY 2.4 0.213 0.241 B 271.0 271.0 0 29 29 0 [[242, 495]] 1.0 4twp Homo sapiens TYR_ABL1_HUMAN TYR 4.4e-100 340.2 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_HUMAN 4WA9B P00519 246 508 1130.0 AXI:69000 Type1 Inactive DFGout 13.3112 10.2815 None -75.93, 149.51 -77.88, -15.66 -59.19, 118.14 191.81, 69.86 106.96, -1.52 in-in in 7.643 Saltbr-in 2.0564 HRD-out -116.7, 121.02 -81.78, -7.12 in-out-in SNCioi out-in ActLoopNT-out 5.3274 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -127.35, 121.29 APE9-dihe-in -115.41, 155.9 APE8-dihe-in -66.84, 110.63 APE8-rot-na 32.52 APE67-dihe-in -70.78, -12.55 -43.03, -46.3 APE12-dist-na 18.4998 APE11-dist-na 13.938 APE10-dist-na 17.4982 APE9-dist-in 6.7106 None None None XRAY 2.2 0.175 0.212 B 286.0 263.0 0 29 29 0 [[242, 495]] 1.0 4wa9 Homo sapiens TYR_ABL1_HUMAN TYR 2.7e-100 340.9 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_HUMAN 4WA9A P00519 246 504 1130.0 AXI:69000 Type1 Inactive None 999.0 10.3553 None -73.83, 149.34 -77.87, -21.14 -66.14, 121.84 190.75, 64.67 115.23, -11.12 none-none none 999.0 Saltbr-none 999.0 HRD-out -124.23, 124.72 -84.31, -3.72 none-out-in SNCnoi out-in ActLoopNT-out 5.4093 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -107.89, 135.91 APE9-dihe-in -108.88, 156.35 APE8-dihe-in -71.91, 93.83 APE8-rot-na 24.22 APE67-dihe-in -74.38, -8.52 -49.97, -43.55 APE12-dist-na 18.5615 APE11-dist-na 13.7767 APE10-dist-na 16.6613 APE9-dist-in 6.4914 None None None XRAY 2.2 0.175 0.212 A 286.0 236.0 23 29 29 0 [[242, 495]] 1.0 4wa9 Homo sapiens TYR_ABL1_HUMAN TYR 2.7e-100 340.9 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 KDR VGFR2_HUMAN 4AG8A P35968 816 1168 1356.0 AXI:2000 Type1 Inactive DFGout 16.4966 10.362 BBAminus -143.7, -179.58 -144.17, 113.57 -60.35, -33.13 275.19, 77.68 54.27, -121.79 in-in in 7.5186 Saltbr-in 2.748 HRD-in -80.25, -53.16 76.08, -12.6 in-out-in SNCioi out-in ActLoopNT-out 16.5659 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -115.55, 111.08 APE9-dihe-in -116.46, 147.01 APE8-dihe-in -77.77, 66.25 APE8-rot-na 30.85 APE67-dihe-in -66.26, -17.06 -55.96, -37.76 APE12-dist-na 16.4565 APE11-dist-na 13.5132 APE10-dist-na 11.4728 APE9-dist-in 7.9832 E990V None None XRAY 1.95 0.197 0.241 A 316.0 296.0 7 30 30 0 [[834, 1162]] 1.0 4ag8 Homo sapiens TYR_KDR_HUMAN TYR 4.1e-100 340.3 1.0 260.0 260.0 1045 1046 1047 1049 1051 868 885 889 1025 1027 1026 1028.0 1087 1075 1070 1069 1068 1067 1066 1065 1064 917 Vascular endothelial growth factor receptor 2
TYR KDR VGFR2_HUMAN 4AGCA P35968 801 1169 1356.0 AXI:2000 Type1.5_Back Inactive DFGout 16.3416 10.4506 BBAminus -142.09, -174.91 -148.19, 116.12 -63.13, -37.04 279.42, 73.43 58.39, -117.25 in-in in 7.3471 Saltbr-in 2.6694 HRD-out -119.32, 107.11 -77.42, 1.81 in-out-in SNCioi out-in ActLoopNT-out 16.5253 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -116.04, 119.4 APE9-dihe-in -126.34, 146.64 APE8-dihe-in -75.44, 63.67 APE8-rot-na 28.57 APE67-dihe-in -65.72, -15.94 -53.26, -41.15 APE12-dist-na 16.7577 APE11-dist-na 14.4263 APE10-dist-na 12.2303 APE9-dist-in 7.621 E990V None None XRAY 2.0 0.204 0.251 A 353.0 305.0 7 30 30 0 [[834, 1162]] 1.0 4agc Homo sapiens TYR_KDR_HUMAN TYR 6e-100 339.8 1.0 260.0 260.0 1045 1046 1047 1049 1051 868 885 889 1025 1027 1026 1028.0 1087 1075 1070 1069 1068 1067 1066 1065 1064 917 Vascular endothelial growth factor receptor 2

Ligand: AXI (Axitinib)

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

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