Ligand: AWJ

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 50.0% 4CD0A
DFGin None 2 50.0% 7Z5XA
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 4CD0A Q9UM73 1094 1402 1620.0 AWJ:1500 Type1 Inactive DFGin 6.2095 14.8068 ABAminus -124.48, -7.47 -131.66, 141.46 -133.85, 29.84 290.85, 86.66 -65.46, -35.12 in-in in 7.7112 Saltbr-in 2.7447 HRD-in -77.45, -47.18 84.39, -11.38 in-out-out SNCioo out-out ActLoopNT-out 6.8871 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -100.9, -13.71 APE9-dihe-in -68.46, 134.66 APE8-dihe-in -73.25, 65.7 APE8-rot-na 30.38 APE67-dihe-in -69.89, -9.61 -53.98, -40.39 APE12-dist-na 14.7046 APE11-dist-na 14.9102 APE10-dist-na 9.7245 APE9-dist-in 7.9756 L1196M None None XRAY 2.23 0.198 0.25 A 342.0 296.0 13 30 24 6 [[1116, 1385]] 1.0 4cd0 TYR_ALK_HUMAN TYR 6e-91 310.3 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 ALK ALK_HUMAN 7R7RA Q9UM73 1093 1401 1620.0 AWJ:1501 Type1 Inactive DFGin 6.1215 14.6939 ABAminus -114.04, -10.1 -130.71, 138.84 -131.21, 32.52 294.04, 89.2 -62.61, -42.67 in-out in 8.0251 Saltbr-out 4.7495 HRD-in -66.43, -50.15 80.96, -9.24 out-out-out SNCooo out-out ActLoopNT-out 6.8833 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -105.96, -19.38 APE9-dihe-in -67.0, 138.74 APE8-dihe-in -79.51, 69.3 APE8-rot-na 29.25 APE67-dihe-in -68.73, -13.21 -57.11, -32.66 APE12-dist-na 14.4527 APE11-dist-na 14.9728 APE10-dist-na 9.8498 APE9-dist-in 7.7278 None None None XRAY 1.935 0.193 0.227 A 327.0 291.0 18 30 23 7 [[1116, 1385]] 1.0 7r7r TYR_ALK_HUMAN TYR 1.4e-90 309.1 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 ROS1 ROS1_HUMAN 7Z5XA P08922 1937 2225 2347.0 AWJ:2301 Type1 Inactive DFGin 7.1398 14.3259 None -115.65, -151.87 19.28, 91.72 -103.73, 999.0 300.69, 79.11 999.0, 999.0 in-in in 7.8876 Saltbr-in 3.0105 HRD-in -78.13, -45.97 75.44, -15.79 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 148.49 APE8-dihe-in -89.41, 63.11 APE8-rot-na 11.43 APE67-dihe-in -63.61, -20.18 -48.49, -41.09 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.6377 None None None XRAY 2.035 0.229 0.266 A 331.0 270.0 19 30 11 19 [[1945, 2217]] 1.0 7z5x TYR_ROS1_HUMAN TYR 6e-95 323.4 3.0 260.0 258.0 2101 2102 2103 2105 2107 1980 1997 2001 2076 2078 2077 2079.0 2143 2131 2126 2125 2124 2123 2122 2121 2120 2027 Proto-oncogene tyrosine-protein kinase ROS
TYR ROS1 ROS1_HUMAN 7Z5XB P08922 1937 2226 2347.0 AWJ:2301 Type1 Inactive DFGin 7.1504 14.3759 None -105.58, -155.45 22.98, 111.73 -123.72, 999.0 298.95, 81.3 999.0, 999.0 in-in in 7.8715 Saltbr-in 3.0051 HRD-in -72.3, -46.74 74.95, -14.87 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -53.07 APE8-dihe-in -86.07, 63.61 APE8-rot-na 10.54 APE67-dihe-in -63.94, -20.45 -49.44, -39.82 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.6733 None None None XRAY 2.035 0.229 0.266 B 331.0 271.0 19 30 11 19 [[1945, 2217]] 1.0 7z5x TYR_ROS1_HUMAN TYR 6e-95 323.4 3.0 260.0 258.0 2101 2102 2103 2105 2107 1980 1997 2001 2076 2078 2077 2079.0 2143 2131 2126 2125 2124 2123 2122 2121 2120 2027 Proto-oncogene tyrosine-protein kinase ROS

Ligand: AWJ

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 50.0% 4CD0A
DFGin None 2 50.0% 7Z5XA
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 4CD0A Q9UM73 1094 1402 1620.0 AWJ:1500 Type1 Inactive DFGin 6.2095 14.8068 ABAminus -124.48, -7.47 -131.66, 141.46 -133.85, 29.84 290.85, 86.66 -65.46, -35.12 in-in in 7.7112 Saltbr-in 2.7447 HRD-in -77.45, -47.18 84.39, -11.38 in-out-out SNCioo out-out ActLoopNT-out 6.8871 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -100.9, -13.71 APE9-dihe-in -68.46, 134.66 APE8-dihe-in -73.25, 65.7 APE8-rot-na 30.38 APE67-dihe-in -69.89, -9.61 -53.98, -40.39 APE12-dist-na 14.7046 APE11-dist-na 14.9102 APE10-dist-na 9.7245 APE9-dist-in 7.9756 L1196M None None XRAY 2.23 0.198 0.25 A 342.0 296.0 13 30 24 6 [[1116, 1385]] 1.0 4cd0 Homo sapiens TYR_ALK_HUMAN TYR 6e-91 310.3 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 ALK ALK_HUMAN 7R7RA Q9UM73 1093 1401 1620.0 AWJ:1501 Type1 Inactive DFGin 6.1215 14.6939 ABAminus -114.04, -10.1 -130.71, 138.84 -131.21, 32.52 294.04, 89.2 -62.61, -42.67 in-out in 8.0251 Saltbr-out 4.7495 HRD-in -66.43, -50.15 80.96, -9.24 out-out-out SNCooo out-out ActLoopNT-out 6.8833 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -105.96, -19.38 APE9-dihe-in -67.0, 138.74 APE8-dihe-in -79.51, 69.3 APE8-rot-na 29.25 APE67-dihe-in -68.73, -13.21 -57.11, -32.66 APE12-dist-na 14.4527 APE11-dist-na 14.9728 APE10-dist-na 9.8498 APE9-dist-in 7.7278 None None None XRAY 1.935 0.193 0.227 A 327.0 291.0 18 30 23 7 [[1116, 1385]] 1.0 7r7r Homo sapiens TYR_ALK_HUMAN TYR 1.4e-90 309.1 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 ROS1 ROS1_HUMAN 7Z5XA P08922 1937 2225 2347.0 AWJ:2301 Type1 Inactive DFGin 7.1398 14.3259 None -115.65, -151.87 19.28, 91.72 -103.73, 999.0 300.69, 79.11 999.0, 999.0 in-in in 7.8876 Saltbr-in 3.0105 HRD-in -78.13, -45.97 75.44, -15.79 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 148.49 APE8-dihe-in -89.41, 63.11 APE8-rot-na 11.43 APE67-dihe-in -63.61, -20.18 -48.49, -41.09 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.6377 None None None XRAY 2.035 0.229 0.266 A 331.0 270.0 19 30 11 19 [[1945, 2217]] 1.0 7z5x Homo sapiens TYR_ROS1_HUMAN TYR 6e-95 323.4 3.0 260.0 258.0 2101 2102 2103 2105 2107 1980 1997 2001 2076 2078 2077 2079.0 2143 2131 2126 2125 2124 2123 2122 2121 2120 2027 Proto-oncogene tyrosine-protein kinase ROS
TYR ROS1 ROS1_HUMAN 7Z5XB P08922 1937 2226 2347.0 AWJ:2301 Type1 Inactive DFGin 7.1504 14.3759 None -105.58, -155.45 22.98, 111.73 -123.72, 999.0 298.95, 81.3 999.0, 999.0 in-in in 7.8715 Saltbr-in 3.0051 HRD-in -72.3, -46.74 74.95, -14.87 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -53.07 APE8-dihe-in -86.07, 63.61 APE8-rot-na 10.54 APE67-dihe-in -63.94, -20.45 -49.44, -39.82 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.6733 None None None XRAY 2.035 0.229 0.266 B 331.0 271.0 19 30 11 19 [[1945, 2217]] 1.0 7z5x Homo sapiens TYR_ROS1_HUMAN TYR 6e-95 323.4 3.0 260.0 258.0 2101 2102 2103 2105 2107 1980 1997 2001 2076 2078 2077 2079.0 2143 2131 2126 2125 2124 2123 2122 2121 2120 2027 Proto-oncogene tyrosine-protein kinase ROS

Ligand: AWJ

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