Ligand: 6GY (Brigatinib)

Total number of chains: 4
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 8H7XA
DFGin ABAminus 1 25.0% 6MX8A
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
TYR ALK ALK_HUMAN 6MX8A Q9UM73 1094 1400 1620.0 6GY:1500 Type1 Inactive DFGin 6.1418 14.6623 ABAminus -114.12, -38.77 -118.14, 138.18 -129.19, 26.62 289.5, 87.05 -61.73, -41.9 in-in in 7.7858 Saltbr-in 3.2344 HRD-in -72.93, -50.14 84.31, -4.9 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -101.89, -3.2 APE9-dihe-in -73.94, 138.53 APE8-dihe-in -85.7, 68.86 APE8-rot-na 37.09 APE67-dihe-in -74.13, -8.15 -48.67, -39.52 APE12-dist-na 14.2439 APE11-dist-na 15.1838 APE10-dist-na 10.0835 APE9-dist-out 8.1676 None None None XRAY 1.96 0.185 0.227 A 307.0 282.0 25 30 17 13 [[1116, 1385]] 1.0 6mx8 TYR_ALK_HUMAN TYR 1.1e-90 309.4 1.0 260.0 260.0 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249.0 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR EGFR EGFR_HUMAN 8H7XA P00533 697 1019 1210.0 6GY:1500 Type1 Active DFGin 5.6354 13.7718 BLAminus -162.89, 168.84 77.21, 81.71 -97.92, 23.57 309.06, 76.3 -58.42, -31.29 in-in in 8.8993 Saltbr-in 3.1627 HRD-in -78.19, -35.41 64.93, 5.25 in-in-in SNCiii in-in ActLoopNT-in 3.0319 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -124.33, 109.95 APE9-dihe-in -128.71, 142.43 APE8-dihe-in -73.85, 112.86 APE8-rot-na 33.56 APE67-dihe-in -80.76, -11.68 -63.25, -24.22 APE12-dist-na 12.2914 APE11-dist-na 9.1117 APE10-dist-na 10.2887 APE9-dist-in 6.2687 T790M,C797S None None XRAY 3.404 0.189 0.256 A 330.0 299.0 0 30 30 0 [[712, 970]] 1.0 8h7x TYR_EGFR_HUMAN TYR 6.2e-88 300.5 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7ZYMA P00533 696 1020 1210.0 6GY:1101 Type1 Active DFGin 6.1052 14.5995 BLAminus -125.58, -171.05 53.24, 83.12 -97.68, 28.42 294.56, 85.3 -63.28, -32.0 in-in in 8.4398 Saltbr-in 2.7347 HRD-in -69.53, -46.77 68.71, 4.77 in-in-in SNCiii in-in ActLoopNT-in 3.0004 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -101.21, 113.9 APE9-dihe-in -126.31, 139.74 APE8-dihe-in -66.94, 111.98 APE8-rot-na 339.42 APE67-dihe-in -73.89, -7.64 -66.97, -37.27 APE12-dist-na 12.1946 APE11-dist-na 9.5609 APE10-dist-na 10.2123 APE9-dist-in 6.1524 T790M,C797S,E865A,E866A,K867A None None XRAY 2.5 0.194 0.224 A 333.0 321.0 4 30 30 0 [[712, 970]] 1.0 7zym TYR_EGFR_HUMAN TYR 3.4e-87 298.1 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7AEMA P00533 695 1018 1210.0 6GY:1101 Type1 Active DFGin 6.1314 14.3769 BLAminus -127.32, -173.27 58.22, 82.35 -96.27, 28.52 299.39, 108.91 -62.1, -37.1 in-in in 8.6378 Saltbr-in 2.8036 HRD-in -54.09, -43.45 61.95, 3.78 in-in-in SNCiii in-in ActLoopNT-in 3.0473 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -73.52, 113.41 APE9-dihe-in -117.42, 140.01 APE8-dihe-in -72.37, 110.57 APE8-rot-na 353.82 APE67-dihe-in -65.05, -21.43 -66.41, -39.04 APE12-dist-na 12.2797 APE11-dist-na 9.7983 APE10-dist-na 10.67 APE9-dist-in 6.3101 None None None XRAY 2.65 0.199 0.221 A 346.0 312.0 2 30 30 0 [[712, 970]] 1.0 7aem TYR_EGFR_HUMAN TYR 1.3e-87 299.5 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor

Ligand: 6GY (Brigatinib)

Total number of chains: 4
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 8H7XA
DFGin ABAminus 1 25.0% 6MX8A
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
TYR ALK ALK_HUMAN 6MX8A Q9UM73 1094 1400 1620.0 6GY:1500 Type1 Inactive DFGin 6.1418 14.6623 ABAminus -114.12, -38.77 -118.14, 138.18 -129.19, 26.62 289.5, 87.05 -61.73, -41.9 in-in in 7.7858 Saltbr-in 3.2344 HRD-in -72.93, -50.14 84.31, -4.9 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -101.89, -3.2 APE9-dihe-in -73.94, 138.53 APE8-dihe-in -85.7, 68.86 APE8-rot-na 37.09 APE67-dihe-in -74.13, -8.15 -48.67, -39.52 APE12-dist-na 14.2439 APE11-dist-na 15.1838 APE10-dist-na 10.0835 APE9-dist-out 8.1676 None None None XRAY 1.96 0.185 0.227 A 307.0 282.0 25 30 17 13 [[1116, 1385]] 1.0 6mx8 Homo sapiens TYR_ALK_HUMAN TYR 1.1e-90 309.4 1.0 260.0 260.0 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249.0 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR EGFR EGFR_HUMAN 8H7XA P00533 697 1019 1210.0 6GY:1500 Type1 Active DFGin 5.6354 13.7718 BLAminus -162.89, 168.84 77.21, 81.71 -97.92, 23.57 309.06, 76.3 -58.42, -31.29 in-in in 8.8993 Saltbr-in 3.1627 HRD-in -78.19, -35.41 64.93, 5.25 in-in-in SNCiii in-in ActLoopNT-in 3.0319 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -124.33, 109.95 APE9-dihe-in -128.71, 142.43 APE8-dihe-in -73.85, 112.86 APE8-rot-na 33.56 APE67-dihe-in -80.76, -11.68 -63.25, -24.22 APE12-dist-na 12.2914 APE11-dist-na 9.1117 APE10-dist-na 10.2887 APE9-dist-in 6.2687 T790M,C797S None None XRAY 3.404 0.189 0.256 A 330.0 299.0 0 30 30 0 [[712, 970]] 1.0 8h7x Homo sapiens TYR_EGFR_HUMAN TYR 6.2e-88 300.5 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7ZYMA P00533 696 1020 1210.0 6GY:1101 Type1 Active DFGin 6.1052 14.5995 BLAminus -125.58, -171.05 53.24, 83.12 -97.68, 28.42 294.56, 85.3 -63.28, -32.0 in-in in 8.4398 Saltbr-in 2.7347 HRD-in -69.53, -46.77 68.71, 4.77 in-in-in SNCiii in-in ActLoopNT-in 3.0004 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -101.21, 113.9 APE9-dihe-in -126.31, 139.74 APE8-dihe-in -66.94, 111.98 APE8-rot-na 339.42 APE67-dihe-in -73.89, -7.64 -66.97, -37.27 APE12-dist-na 12.1946 APE11-dist-na 9.5609 APE10-dist-na 10.2123 APE9-dist-in 6.1524 T790M,C797S,E865A,E866A,K867A None None XRAY 2.5 0.194 0.224 A 333.0 321.0 4 30 30 0 [[712, 970]] 1.0 7zym Homo sapiens TYR_EGFR_HUMAN TYR 3.4e-87 298.1 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor
TYR EGFR EGFR_HUMAN 7AEMA P00533 695 1018 1210.0 6GY:1101 Type1 Active DFGin 6.1314 14.3769 BLAminus -127.32, -173.27 58.22, 82.35 -96.27, 28.52 299.39, 108.91 -62.1, -37.1 in-in in 8.6378 Saltbr-in 2.8036 HRD-in -54.09, -43.45 61.95, 3.78 in-in-in SNCiii in-in ActLoopNT-in 3.0473 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -73.52, 113.41 APE9-dihe-in -117.42, 140.01 APE8-dihe-in -72.37, 110.57 APE8-rot-na 353.82 APE67-dihe-in -65.05, -21.43 -66.41, -39.04 APE12-dist-na 12.2797 APE11-dist-na 9.7983 APE10-dist-na 10.67 APE9-dist-in 6.3101 None None None XRAY 2.65 0.199 0.221 A 346.0 312.0 2 30 30 0 [[712, 970]] 1.0 7aem Homo sapiens TYR_EGFR_HUMAN TYR 1.3e-87 299.5 3.0 259.0 257.0 854 855 856 858 860 745 762 766 834 836 835 837.0 896 884 879 878 877 876 875 874 873 791 Epidermal growth factor receptor

Ligand: 6GY (Brigatinib)

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