Ligand: AXI (Axitinib, Inlyta)

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
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
TYR ABL1 ABL1_HUMAN 4TWPA P00519 233 503 1130.0 AXI:601 Type1 Active DFGin 6.826 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 7.981 Saltbr-in 2.446 HRD-in -95.85, -58.6 83.7, -5.53 in-in-in SNCiii in-in ActLoopNT-in 2.946 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 14.989 APE11-dist-na 10.195 APE10-dist-na 13.212 APE9-dist-in 7.168 T315I None None XRAY 2.4 0.213 0.241 A 271 266 5 0 0 0 [[242, 495]] 1.0 4twp TYR_ABL1_HUMAN TYR 4.4e-100 340.2 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 4TWPB P00519 233 503 1130.0 AXI:601 Type1 Active DFGin 6.728 13.117 BLAminus -138.14, -168.47 59.67, 66.52 -88.52, 8.05 307.93, 102.65 -49.29, -39.91 in-in in 7.772 Saltbr-in 2.648 HRD-in -82.31, -50.76 78.18, -18.83 in-in-in SNCiii in-in ActLoopNT-in 2.959 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 15.208 APE11-dist-na 10.654 APE10-dist-na 13.036 APE9-dist-in 6.848 T315I None None XRAY 2.4 0.213 0.241 B 271 271 0 0 0 0 [[242, 495]] 1.0 4twp TYR_ABL1_HUMAN TYR 4.4e-100 340.2 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 4WA9B P00519 246 508 1130.0 AXI:69000 Type1 Inactive DFGout 13.311 10.281 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 2.056 HRD-out -116.7, 121.02 -81.78, -7.12 in-out-in SNCioi out-in ActLoopNT-out 5.327 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 18.5 APE11-dist-na 13.938 APE10-dist-na 17.498 APE9-dist-in 6.711 None None None XRAY 2.2 0.175 0.212 B 286 263 0 0 0 0 [[242, 495]] 1.0 4wa9 TYR_ABL1_HUMAN TYR 2.7e-100 340.9 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 4WA9A P00519 246 504 1130.0 AXI:69000 Type1 Inactive None 999.0 10.355 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 5.409 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 18.561 APE11-dist-na 13.777 APE10-dist-na 16.661 APE9-dist-in 6.491 None None None XRAY 2.2 0.175 0.212 A 286 236 23 0 0 0 [[242, 495]] 1.0 4wa9 TYR_ABL1_HUMAN TYR 2.7e-100 340.9 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR KDR VGFR2_HUMAN 4AG8A P35968 816 1168 1356.0 AXI:2000 Type1 Inactive DFGout 16.497 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 7.519 Saltbr-in 2.748 HRD-in -80.25, -53.16 76.08, -12.6 in-out-in SNCioi out-in ActLoopNT-out 16.566 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 16.456 APE11-dist-na 13.513 APE10-dist-na 11.473 APE9-dist-in 7.983 E990V None None XRAY 1.95 0.197 0.241 A 316 296 7 0 0 0 [[834, 1162]] 1.0 4ag8 TYR_KDR_HUMAN TYR 4.1e-100 340.3 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 4AGCA P35968 801 1169 1356.0 AXI:2000 Type1.5_Back Inactive DFGout 16.342 10.451 BBAminus -142.09, -174.91 -148.19, 116.12 -63.13, -37.04 279.42, 73.43 58.39, -117.25 in-in in 7.347 Saltbr-in 2.669 HRD-out -119.32, 107.11 -77.42, 1.81 in-out-in SNCioi out-in ActLoopNT-out 16.525 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 16.758 APE11-dist-na 14.426 APE10-dist-na 12.23 APE9-dist-in 7.621 E990V None None XRAY 2.0 0.204 0.251 A 353 305 7 0 0 0 [[834, 1162]] 1.0 4agc 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: AXI (Axitinib, Inlyta)

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
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 ABL1 ABL1_HUMAN 4TWPA P00519 233 503 1130.0 AXI:601 Type1 Active DFGin 6.826 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 7.981 Saltbr-in 2.446 HRD-in -95.85, -58.6 83.7, -5.53 in-in-in SNCiii in-in ActLoopNT-in 2.946 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 14.989 APE11-dist-na 10.195 APE10-dist-na 13.212 APE9-dist-in 7.168 T315I None None XRAY 2.4 0.213 0.241 A 271 266 5 0 0 0 [[242, 495]] 1.0 4twp Homo sapiens TYR_ABL1_HUMAN TYR 4.4e-100 340.2 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 4TWPB P00519 233 503 1130.0 AXI:601 Type1 Active DFGin 6.728 13.117 BLAminus -138.14, -168.47 59.67, 66.52 -88.52, 8.05 307.93, 102.65 -49.29, -39.91 in-in in 7.772 Saltbr-in 2.648 HRD-in -82.31, -50.76 78.18, -18.83 in-in-in SNCiii in-in ActLoopNT-in 2.959 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 15.208 APE11-dist-na 10.654 APE10-dist-na 13.036 APE9-dist-in 6.848 T315I None None XRAY 2.4 0.213 0.241 B 271 271 0 0 0 0 [[242, 495]] 1.0 4twp Homo sapiens TYR_ABL1_HUMAN TYR 4.4e-100 340.2 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 4WA9B P00519 246 508 1130.0 AXI:69000 Type1 Inactive DFGout 13.311 10.281 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 2.056 HRD-out -116.7, 121.02 -81.78, -7.12 in-out-in SNCioi out-in ActLoopNT-out 5.327 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 18.5 APE11-dist-na 13.938 APE10-dist-na 17.498 APE9-dist-in 6.711 None None None XRAY 2.2 0.175 0.212 B 286 263 0 0 0 0 [[242, 495]] 1.0 4wa9 Homo sapiens TYR_ABL1_HUMAN TYR 2.7e-100 340.9 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR ABL1 ABL1_HUMAN 4WA9A P00519 246 504 1130.0 AXI:69000 Type1 Inactive None 999.0 10.355 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 5.409 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 18.561 APE11-dist-na 13.777 APE10-dist-na 16.661 APE9-dist-in 6.491 None None None XRAY 2.2 0.175 0.212 A 286 236 23 0 0 0 [[242, 495]] 1.0 4wa9 Homo sapiens TYR_ABL1_HUMAN TYR 2.7e-100 340.9 1 260 260 380 381 382 384 386 271 286 290 360 362 361 363 421 409 404 403 402 401 400 399 398 316 Tyrosine-protein kinase ABL1
TYR KDR VGFR2_HUMAN 4AG8A P35968 816 1168 1356.0 AXI:2000 Type1 Inactive DFGout 16.497 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 7.519 Saltbr-in 2.748 HRD-in -80.25, -53.16 76.08, -12.6 in-out-in SNCioi out-in ActLoopNT-out 16.566 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 16.456 APE11-dist-na 13.513 APE10-dist-na 11.473 APE9-dist-in 7.983 E990V None None XRAY 1.95 0.197 0.241 A 316 296 7 0 0 0 [[834, 1162]] 1.0 4ag8 Homo sapiens TYR_KDR_HUMAN TYR 4.1e-100 340.3 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 4AGCA P35968 801 1169 1356.0 AXI:2000 Type1.5_Back Inactive DFGout 16.342 10.451 BBAminus -142.09, -174.91 -148.19, 116.12 -63.13, -37.04 279.42, 73.43 58.39, -117.25 in-in in 7.347 Saltbr-in 2.669 HRD-out -119.32, 107.11 -77.42, 1.81 in-out-in SNCioi out-in ActLoopNT-out 16.525 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 16.758 APE11-dist-na 14.426 APE10-dist-na 12.23 APE9-dist-in 7.621 E990V None None XRAY 2.0 0.204 0.251 A 353 305 7 0 0 0 [[834, 1162]] 1.0 4agc 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: AXI (Axitinib, Inlyta)

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