Ligand: 6T2 (Crenolanib)

Total number of chains: 5
Active chains: 3
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 8S1AB
DFGin BLAplus 1 20.0% 6JOIA
None None 1 20.0% 6JOJA
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
CAMK CAMKK2 KKCC2_HUMAN 6BQPA Q96RR4 161 448 588.0 6T2:60501 Type1 Active DFGin 6.8789 13.9408 BLAminus -127.73, 165.94 70.2, 92.8 -98.65, 20.48 287.69, 73.18 -57.53, -31.21 in-in in 9.3972 Saltbr-in 2.8837 HRD-in -64.73, -48.51 76.52, -1.98 in-in-in SNCiii in-in ActLoopNT-in 2.7582 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.24, 171.23 APE9-dihe-na 110.1, -156.68 APE8-dihe-in -100.02, 128.5 APE8-rot-in 305.22 APE67-dihe-in -65.8, -14.31 -55.35, -41.21 APE12-dist-in 9.5878 APE11-dist-in 11.2692 APE10-dist-in 5.4534 APE9-dist-in 3.4773 None None None XRAY 1.95 0.191 0.227 A 291.0 262.0 26 28 28 0 [[165, 446]] 1.0 6bqp CAMK_CAMKK2_HUMAN CAMK 1.2e-73 253.6 1.0 256.0 256.0 329 330 331 333 335 194 236 240 309 311 310 312.0 372 357 352 351 350 349 348 347 346 268 Calcium/calmodulin-dependent protein kinase kinase 2
TYR KIT KIT_HUMAN 8S1AA P10721 565 931 976.0 6T2:61001 Type1 Active DFGin 7.4808 13.4537 BLAminus -130.25, 174.66 66.24, 93.25 -105.72, 18.63 285.4, 75.09 -61.16, -30.32 in-in in 8.3211 Saltbr-in 3.005 HRD-in -89.71, -45.27 75.21, -0.98 in-in-in SNCiii in-in ActLoopNT-in 2.8512 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -69.31, 143.6 APE9-dihe-in -122.04, 151.68 APE8-dihe-in -82.91, 74.45 APE8-rot-na 35.68 APE67-dihe-in -72.93, -9.14 -57.9, -42.62 APE12-dist-na 13.9398 APE11-dist-na 9.4995 APE10-dist-na 12.9558 APE9-dist-in 7.5844 I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D None None XRAY 1.85 0.188 0.208 A 327.0 286.0 3 30 30 0 [[589, 926]] 1.0 8s1a TYR_KIT_HUMAN TYR 2.3e-104 354.3 1.0 261.0 261.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR KIT KIT_HUMAN 8S1AB P10721 566 931 976.0 6T2:61001 Type1 Active DFGin 7.4323 13.5642 BLAminus -134.77, 174.81 62.68, 90.66 -103.62, 20.87 285.06, 74.67 -61.54, -35.7 in-in in 8.3104 Saltbr-in 2.716 HRD-in -95.21, -44.44 74.01, 0.64 in-in-in SNCiii in-in ActLoopNT-in 2.8065 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -70.03, 139.89 APE9-dihe-in -118.65, 149.04 APE8-dihe-in -82.35, 75.62 APE8-rot-na 34.69 APE67-dihe-in -73.13, -6.18 -57.98, -42.32 APE12-dist-na 14.1507 APE11-dist-na 9.6536 APE10-dist-na 13.1267 APE9-dist-in 7.6697 I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D None None XRAY 1.85 0.188 0.208 B 327.0 288.0 0 30 30 0 [[589, 926]] 1.0 8s1a TYR_KIT_HUMAN TYR 2.3e-104 354.3 1.0 261.0 261.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR PDGFRA PGFRA_HUMAN 6JOIA P16234 569 973 1089.0 6T2:1001 Type1 Inactive DFGin 5.8932 12.4237 BLAplus -149.03, 179.69 59.48, 39.87 -90.32, -0.87 38.91, 91.7 -108.94, 138.34 in-out in 7.8145 Saltbr-out 4.0493 HRD-in -63.69, -47.81 78.72, -13.59 out-none-in SNConi none-in ActLoopNT-none 999.0 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -117.07, 131.06 APE9-dihe-in -119.74, 141.05 APE8-dihe-in -77.37, 79.89 APE8-rot-na 19.31 APE67-dihe-in -62.19, -30.0 -59.33, -40.19 APE12-dist-na 999.0 APE11-dist-na 13.197 APE10-dist-na 15.7508 APE9-dist-in 7.4573 T674I None None XRAY 3.1 0.224 0.244 A 375.0 296.0 37 30 15 15 [[593, 952]] 1.0 6joi TYR_PDGFRA_HUMAN TYR 2.2e-106 361.4 1.0 260.0 260.0 835 836 837 839 841 627 644 648 815 817 816 818.0 877 865 860 859 858 857 856 855 854 675 Platelet-derived growth factor receptor alpha
TYR PDGFRA PGFRA_HUMAN 6JOJA P16234 554 973 1089.0 6T2:1001 Type1 Inactive None 20.3126 15.0063 None -134.96, -163.27 -129.94, 169.75 -62.88, -45.52 197.17, 82.33 72.34, -174.07 in-in in 7.904 Saltbr-in 2.5098 HRD-in -72.82, -51.47 79.17, -0.33 in-out-in SNCioi out-in ActLoopNT-out 18.4772 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -112.85, 133.76 APE9-dihe-in -123.13, 133.08 APE8-dihe-in -84.33, 80.22 APE8-rot-na 30.95 APE67-dihe-in -63.18, -24.53 -59.42, -37.34 APE12-dist-na 16.2106 APE11-dist-na 14.5332 APE10-dist-na 11.8148 APE9-dist-in 7.0278 None None None XRAY 2.6 0.224 0.233 A 356.0 338.0 10 30 30 0 [[593, 952]] 1.0 6joj TYR_PDGFRA_HUMAN TYR 9.2e-107 362.5 1.0 260.0 260.0 835 836 837 839 841 627 644 648 815 817 816 818.0 877 865 860 859 858 857 856 855 854 675 Platelet-derived growth factor receptor alpha

Ligand: 6T2 (Crenolanib)

Total number of chains: 5
Active chains: 3
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 60.0% 8S1AB
DFGin BLAplus 1 20.0% 6JOIA
None None 1 20.0% 6JOJA
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
CAMK CAMKK2 KKCC2_HUMAN 6BQPA Q96RR4 161 448 588.0 6T2:60501 Type1 Active DFGin 6.8789 13.9408 BLAminus -127.73, 165.94 70.2, 92.8 -98.65, 20.48 287.69, 73.18 -57.53, -31.21 in-in in 9.3972 Saltbr-in 2.8837 HRD-in -64.73, -48.51 76.52, -1.98 in-in-in SNCiii in-in ActLoopNT-in 2.7582 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -137.24, 171.23 APE9-dihe-na 110.1, -156.68 APE8-dihe-in -100.02, 128.5 APE8-rot-in 305.22 APE67-dihe-in -65.8, -14.31 -55.35, -41.21 APE12-dist-in 9.5878 APE11-dist-in 11.2692 APE10-dist-in 5.4534 APE9-dist-in 3.4773 None None None XRAY 1.95 0.191 0.227 A 291.0 262.0 26 28 28 0 [[165, 446]] 1.0 6bqp Homo sapiens CAMK_CAMKK2_HUMAN CAMK 1.2e-73 253.6 1.0 256.0 256.0 329 330 331 333 335 194 236 240 309 311 310 312.0 372 357 352 351 350 349 348 347 346 268 Calcium/calmodulin-dependent protein kinase kinase 2
TYR KIT KIT_HUMAN 8S1AA P10721 565 931 976.0 6T2:61001 Type1 Active DFGin 7.4808 13.4537 BLAminus -130.25, 174.66 66.24, 93.25 -105.72, 18.63 285.4, 75.09 -61.16, -30.32 in-in in 8.3211 Saltbr-in 3.005 HRD-in -89.71, -45.27 75.21, -0.98 in-in-in SNCiii in-in ActLoopNT-in 2.8512 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -69.31, 143.6 APE9-dihe-in -122.04, 151.68 APE8-dihe-in -82.91, 74.45 APE8-rot-na 35.68 APE67-dihe-in -72.93, -9.14 -57.9, -42.62 APE12-dist-na 13.9398 APE11-dist-na 9.4995 APE10-dist-na 12.9558 APE9-dist-in 7.5844 I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D None None XRAY 1.85 0.188 0.208 A 327.0 286.0 3 30 30 0 [[589, 926]] 1.0 8s1a Homo sapiens TYR_KIT_HUMAN TYR 2.3e-104 354.3 1.0 261.0 261.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR KIT KIT_HUMAN 8S1AB P10721 566 931 976.0 6T2:61001 Type1 Active DFGin 7.4323 13.5642 BLAminus -134.77, 174.81 62.68, 90.66 -103.62, 20.87 285.06, 74.67 -61.54, -35.7 in-in in 8.3104 Saltbr-in 2.716 HRD-in -95.21, -44.44 74.01, 0.64 in-in-in SNCiii in-in ActLoopNT-in 2.8065 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -70.03, 139.89 APE9-dihe-in -118.65, 149.04 APE8-dihe-in -82.35, 75.62 APE8-rot-na 34.69 APE67-dihe-in -73.13, -6.18 -57.98, -42.32 APE12-dist-na 14.1507 APE11-dist-na 9.6536 APE10-dist-na 13.1267 APE9-dist-in 7.6697 I563S,V569S,Y609Q,L631S,M651E,I662H,D768H,R804N,V825D,C844S,L890S,H894Y,L912D,L923D None None XRAY 1.85 0.188 0.208 B 327.0 288.0 0 30 30 0 [[589, 926]] 1.0 8s1a Homo sapiens TYR_KIT_HUMAN TYR 2.3e-104 354.3 1.0 261.0 261.0 809 810 811 813 815 623 640 644 789 791 790 792.0 851 839 834 833 832 831 830 829 828 671 Mast/stem cell growth factor receptor Kit
TYR PDGFRA PGFRA_HUMAN 6JOIA P16234 569 973 1089.0 6T2:1001 Type1 Inactive DFGin 5.8932 12.4237 BLAplus -149.03, 179.69 59.48, 39.87 -90.32, -0.87 38.91, 91.7 -108.94, 138.34 in-out in 7.8145 Saltbr-out 4.0493 HRD-in -63.69, -47.81 78.72, -13.59 out-none-in SNConi none-in ActLoopNT-none 999.0 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -117.07, 131.06 APE9-dihe-in -119.74, 141.05 APE8-dihe-in -77.37, 79.89 APE8-rot-na 19.31 APE67-dihe-in -62.19, -30.0 -59.33, -40.19 APE12-dist-na 999.0 APE11-dist-na 13.197 APE10-dist-na 15.7508 APE9-dist-in 7.4573 T674I None None XRAY 3.1 0.224 0.244 A 375.0 296.0 37 30 15 15 [[593, 952]] 1.0 6joi Homo sapiens TYR_PDGFRA_HUMAN TYR 2.2e-106 361.4 1.0 260.0 260.0 835 836 837 839 841 627 644 648 815 817 816 818.0 877 865 860 859 858 857 856 855 854 675 Platelet-derived growth factor receptor alpha
TYR PDGFRA PGFRA_HUMAN 6JOJA P16234 554 973 1089.0 6T2:1001 Type1 Inactive None 20.3126 15.0063 None -134.96, -163.27 -129.94, 169.75 -62.88, -45.52 197.17, 82.33 72.34, -174.07 in-in in 7.904 Saltbr-in 2.5098 HRD-in -72.82, -51.47 79.17, -0.33 in-out-in SNCioi out-in ActLoopNT-out 18.4772 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -112.85, 133.76 APE9-dihe-in -123.13, 133.08 APE8-dihe-in -84.33, 80.22 APE8-rot-na 30.95 APE67-dihe-in -63.18, -24.53 -59.42, -37.34 APE12-dist-na 16.2106 APE11-dist-na 14.5332 APE10-dist-na 11.8148 APE9-dist-in 7.0278 None None None XRAY 2.6 0.224 0.233 A 356.0 338.0 10 30 30 0 [[593, 952]] 1.0 6joj Homo sapiens TYR_PDGFRA_HUMAN TYR 9.2e-107 362.5 1.0 260.0 260.0 835 836 837 839 841 627 644 648 815 817 816 818.0 877 865 860 859 858 857 856 855 854 675 Platelet-derived growth factor receptor alpha

Ligand: 6T2 (Crenolanib)

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
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