Ligand: 5P8 (Lorlatinib, Lorbrena)

Total number of chains: 6
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 6 100.0% 4UXLA
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 4CLJA Q9UM73 1094 1402 1620.0 5P8:2402 Type1 Inactive DFGin 6.203 14.805 ABAminus -125.62, -0.02 -140.07, 135.04 -130.43, 32.34 295.46, 85.14 -65.98, -39.5 in-in in 8.011 Saltbr-in 2.711 HRD-in -71.97, -45.96 80.49, -8.87 in-out-out SNCioo out-out ActLoopNT-out 6.963 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -100.51, -5.34 APE9-dihe-in -68.88, 140.43 APE8-dihe-in -76.17, 58.33 APE8-rot-na 29.07 APE67-dihe-in -72.79, -6.46 -47.28, -42.69 APE12-dist-na 14.558 APE11-dist-na 14.807 APE10-dist-na 9.789 APE9-dist-in 7.937 L1196M None None XRAY 1.66 0.197 0.229 A 327 296 13 0 0 6 [[1116, 1385]] 1.0 4clj TYR_ALK_HUMAN TYR 5.1e-91 310.5 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AA9A Q9UM73 1093 1402 1620.0 5P8:2402 Type1 Inactive DFGin 6.182 14.891 ABAminus -123.86, -6.83 -134.63, 136.55 -132.06, 29.87 289.56, 85.44 -66.04, -35.64 in-out in 8.157 Saltbr-out 4.537 HRD-in -75.17, -44.12 79.72, -10.27 out-out-out SNCooo out-out ActLoopNT-out 6.848 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -99.37, -11.88 APE9-dihe-in -67.63, 135.25 APE8-dihe-in -76.86, 63.04 APE8-rot-na 30.41 APE67-dihe-in -70.03, -11.65 -60.61, -27.66 APE12-dist-na 14.916 APE11-dist-na 15.23 APE10-dist-na 10.096 APE9-dist-out 8.159 L1198F None None XRAY 1.93 0.201 0.237 A 327 296 14 0 0 6 [[1116, 1385]] 1.0 5aa9 TYR_ALK_HUMAN TYR 4.4e-91 310.7 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AA8A Q9UM73 1093 1402 1620.0 5P8:2402 Type1 Inactive DFGin 6.086 14.918 ABAminus -121.09, -8.69 -130.71, 131.76 -128.08, 33.6 288.19, 85.62 -75.96, -22.55 in-out in 8.245 Saltbr-out 4.485 HRD-in -76.73, -45.37 80.25, -8.63 out-out-out SNCooo out-out ActLoopNT-out 6.799 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -101.53, -15.21 APE9-dihe-in -61.78, 135.61 APE8-dihe-in -77.32, 62.22 APE8-rot-na 29.6 APE67-dihe-in -71.9, -11.44 -60.22, -27.26 APE12-dist-na 14.682 APE11-dist-na 15.552 APE10-dist-na 10.481 APE9-dist-out 8.188 C1156Y,L1198F None None XRAY 1.86 0.209 0.233 A 327 293 17 0 0 6 [[1116, 1385]] 1.0 5aa8 TYR_ALK_HUMAN TYR 5.9e-91 310.3 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 4CLIA Q9UM73 1093 1401 1620.0 5P8:2401 Type1 Inactive DFGin 6.104 14.664 ABAminus -126.26, -5.06 -135.36, 136.5 -131.98, 39.01 293.42, 86.05 -79.91, -26.98 in-out in 8.304 Saltbr-out 4.519 HRD-in -75.26, -46.3 81.47, -9.07 out-out-out SNCooo out-out ActLoopNT-out 6.844 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -103.34, -12.93 APE9-dihe-in -62.11, 137.41 APE8-dihe-in -77.3, 59.87 APE8-rot-na 29.14 APE67-dihe-in -74.79, -11.71 -58.14, -27.0 APE12-dist-na 14.664 APE11-dist-na 14.982 APE10-dist-na 10.003 APE9-dist-in 7.829 None None None XRAY 2.05 0.199 0.245 A 327 295 14 0 0 6 [[1116, 1385]] 1.0 4cli TYR_ALK_HUMAN TYR 1.4e-90 309.1 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5A9UA Q9UM73 1093 1402 1620.0 5P8:2402 Type1 Inactive DFGin 6.068 14.657 ABAminus -124.48, -3.05 -136.25, 135.66 -131.11, 34.63 291.44, 81.89 -72.61, -25.01 in-out in 8.133 Saltbr-out 3.838 HRD-in -74.43, -46.73 80.61, -9.35 out-out-out SNCooo out-out ActLoopNT-out 6.844 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -102.6, -12.67 APE9-dihe-in -61.75, 137.74 APE8-dihe-in -78.53, 58.82 APE8-rot-na 30.41 APE67-dihe-in -71.12, -10.64 -57.9, -28.42 APE12-dist-na 14.791 APE11-dist-na 15.374 APE10-dist-na 10.294 APE9-dist-out 8.143 C1156Y None None XRAY 1.6 0.216 0.258 A 327 293 17 0 0 6 [[1116, 1385]] 1.0 5a9u TYR_ALK_HUMAN TYR 1.9e-90 308.6 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ROS1 ROS1_HUMAN 4UXLA P08922 1934 2230 2347.0 5P8:3230 Type1 Inactive DFGin 6.194 13.993 ABAminus -141.3, 11.29 -144.65, 99.59 -104.59, 30.23 307.24, 85.25 -59.55, -21.07 in-out in 7.952 Saltbr-out 4.12 HRD-in -84.61, -43.72 73.98, 0.0 out-in-out SNCoio in-out ActLoopNT-in 2.714 ActLoopCT-out TYR APEdihe_ooiai APEdist_aaao APE10-dihe-out 79.22, 179.05 APE9-dihe-out 178.0, -54.94 APE8-dihe-in -73.51, 76.26 APE8-rot-na 29.99 APE67-dihe-in -70.8, -16.84 -65.31, -30.57 APE12-dist-na 13.69 APE11-dist-na 10.472 APE10-dist-na 9.726 APE9-dist-out 9.238 None None None XRAY 2.4 0.211 0.281 A 322 289 8 0 0 8 [[1945, 2217]] 1.0 4uxl TYR_ROS1_HUMAN TYR 5.4e-95 323.5 3 260 258 2101 2102 2103 2105 2107 1980 1997 2001 2076 2078 2077 2079 2143 2131 2126 2125 2124 2123 2122 2121 2120 2027 Proto-oncogene tyrosine-protein kinase ROS

Ligand: 5P8 (Lorlatinib, Lorbrena)

Total number of chains: 6
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 6 100.0% 4UXLA
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 4CLJA Q9UM73 1094 1402 1620.0 5P8:2402 Type1 Inactive DFGin 6.203 14.805 ABAminus -125.62, -0.02 -140.07, 135.04 -130.43, 32.34 295.46, 85.14 -65.98, -39.5 in-in in 8.011 Saltbr-in 2.711 HRD-in -71.97, -45.96 80.49, -8.87 in-out-out SNCioo out-out ActLoopNT-out 6.963 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -100.51, -5.34 APE9-dihe-in -68.88, 140.43 APE8-dihe-in -76.17, 58.33 APE8-rot-na 29.07 APE67-dihe-in -72.79, -6.46 -47.28, -42.69 APE12-dist-na 14.558 APE11-dist-na 14.807 APE10-dist-na 9.789 APE9-dist-in 7.937 L1196M None None XRAY 1.66 0.197 0.229 A 327 296 13 0 0 6 [[1116, 1385]] 1.0 4clj Homo sapiens TYR_ALK_HUMAN TYR 5.1e-91 310.5 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AA9A Q9UM73 1093 1402 1620.0 5P8:2402 Type1 Inactive DFGin 6.182 14.891 ABAminus -123.86, -6.83 -134.63, 136.55 -132.06, 29.87 289.56, 85.44 -66.04, -35.64 in-out in 8.157 Saltbr-out 4.537 HRD-in -75.17, -44.12 79.72, -10.27 out-out-out SNCooo out-out ActLoopNT-out 6.848 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -99.37, -11.88 APE9-dihe-in -67.63, 135.25 APE8-dihe-in -76.86, 63.04 APE8-rot-na 30.41 APE67-dihe-in -70.03, -11.65 -60.61, -27.66 APE12-dist-na 14.916 APE11-dist-na 15.23 APE10-dist-na 10.096 APE9-dist-out 8.159 L1198F None None XRAY 1.93 0.201 0.237 A 327 296 14 0 0 6 [[1116, 1385]] 1.0 5aa9 Homo sapiens TYR_ALK_HUMAN TYR 4.4e-91 310.7 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5AA8A Q9UM73 1093 1402 1620.0 5P8:2402 Type1 Inactive DFGin 6.086 14.918 ABAminus -121.09, -8.69 -130.71, 131.76 -128.08, 33.6 288.19, 85.62 -75.96, -22.55 in-out in 8.245 Saltbr-out 4.485 HRD-in -76.73, -45.37 80.25, -8.63 out-out-out SNCooo out-out ActLoopNT-out 6.799 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -101.53, -15.21 APE9-dihe-in -61.78, 135.61 APE8-dihe-in -77.32, 62.22 APE8-rot-na 29.6 APE67-dihe-in -71.9, -11.44 -60.22, -27.26 APE12-dist-na 14.682 APE11-dist-na 15.552 APE10-dist-na 10.481 APE9-dist-out 8.188 C1156Y,L1198F None None XRAY 1.86 0.209 0.233 A 327 293 17 0 0 6 [[1116, 1385]] 1.0 5aa8 Homo sapiens TYR_ALK_HUMAN TYR 5.9e-91 310.3 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 4CLIA Q9UM73 1093 1401 1620.0 5P8:2401 Type1 Inactive DFGin 6.104 14.664 ABAminus -126.26, -5.06 -135.36, 136.5 -131.98, 39.01 293.42, 86.05 -79.91, -26.98 in-out in 8.304 Saltbr-out 4.519 HRD-in -75.26, -46.3 81.47, -9.07 out-out-out SNCooo out-out ActLoopNT-out 6.844 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -103.34, -12.93 APE9-dihe-in -62.11, 137.41 APE8-dihe-in -77.3, 59.87 APE8-rot-na 29.14 APE67-dihe-in -74.79, -11.71 -58.14, -27.0 APE12-dist-na 14.664 APE11-dist-na 14.982 APE10-dist-na 10.003 APE9-dist-in 7.829 None None None XRAY 2.05 0.199 0.245 A 327 295 14 0 0 6 [[1116, 1385]] 1.0 4cli Homo sapiens TYR_ALK_HUMAN TYR 1.4e-90 309.1 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ALK ALK_HUMAN 5A9UA Q9UM73 1093 1402 1620.0 5P8:2402 Type1 Inactive DFGin 6.068 14.657 ABAminus -124.48, -3.05 -136.25, 135.66 -131.11, 34.63 291.44, 81.89 -72.61, -25.01 in-out in 8.133 Saltbr-out 3.838 HRD-in -74.43, -46.73 80.61, -9.35 out-out-out SNCooo out-out ActLoopNT-out 6.844 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaao APE10-dihe-out -102.6, -12.67 APE9-dihe-in -61.75, 137.74 APE8-dihe-in -78.53, 58.82 APE8-rot-na 30.41 APE67-dihe-in -71.12, -10.64 -57.9, -28.42 APE12-dist-na 14.791 APE11-dist-na 15.374 APE10-dist-na 10.294 APE9-dist-out 8.143 C1156Y None None XRAY 1.6 0.216 0.258 A 327 293 17 0 0 6 [[1116, 1385]] 1.0 5a9u Homo sapiens TYR_ALK_HUMAN TYR 1.9e-90 308.6 1 260 260 1269 1270 1271 1273 1275 1150 1167 1171 1246 1248 1247 1249 1311 1299 1294 1293 1292 1291 1290 1289 1288 1197 ALK tyrosine kinase receptor
TYR ROS1 ROS1_HUMAN 4UXLA P08922 1934 2230 2347.0 5P8:3230 Type1 Inactive DFGin 6.194 13.993 ABAminus -141.3, 11.29 -144.65, 99.59 -104.59, 30.23 307.24, 85.25 -59.55, -21.07 in-out in 7.952 Saltbr-out 4.12 HRD-in -84.61, -43.72 73.98, 0.0 out-in-out SNCoio in-out ActLoopNT-in 2.714 ActLoopCT-out TYR APEdihe_ooiai APEdist_aaao APE10-dihe-out 79.22, 179.05 APE9-dihe-out 178.0, -54.94 APE8-dihe-in -73.51, 76.26 APE8-rot-na 29.99 APE67-dihe-in -70.8, -16.84 -65.31, -30.57 APE12-dist-na 13.69 APE11-dist-na 10.472 APE10-dist-na 9.726 APE9-dist-out 9.238 None None None XRAY 2.4 0.211 0.281 A 322 289 8 0 0 8 [[1945, 2217]] 1.0 4uxl Homo sapiens TYR_ROS1_HUMAN TYR 5.4e-95 323.5 3 260 258 2101 2102 2103 2105 2107 1980 1997 2001 2076 2078 2077 2079 2143 2131 2126 2125 2124 2123 2122 2121 2120 2027 Proto-oncogene tyrosine-protein kinase ROS

Ligand: 5P8 (Lorlatinib, Lorbrena)

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