Ligand: L1X (Merestinib)

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 7AAYA
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 MERTK MERTK_HUMAN 7AAYA Q12866 571 862 999.0 L1X:60901 Type2 Inactive DFGout 15.2724 11.5525 BBAminus -158.07, -174.81 -144.2, 119.75 -72.18, -30.61 282.04, 79.68 81.94, 999.0 in-in in 8.7272 Saltbr-in 2.8075 HRD-in -70.71, -62.02 81.51, -21.97 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nnoai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -56.79 APE8-dihe-out -51.76, -19.75 APE8-rot-na 333.06 APE67-dihe-in -71.89, -3.89 -51.82, -34.91 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 11.6609 None None None XRAY 1.87 0.197 0.224 A 294.0 270.0 18 30 12 18 [[587, 856]] 1.0 7aay TYR_MERTK_HUMAN TYR 5.3e-93 317.0 2.0 261.0 260.0 740 741 742 744 746 619 637 641 720 722 721 723.0 782 770 765 764 763 762 761 760 759 672 Tyrosine-protein kinase Mer
TYR MET MET_HUMAN 4EEVA P08581 1045 1346 1390.0 L1X:1401 Type2 Inactive DFGout 14.8347 11.8107 BBAminus -150.99, -173.15 -148.09, 112.51 -69.31, -18.69 280.19, 68.72 62.91, 999.0 in-out in 9.4385 Saltbr-out 4.0185 HRD-in -69.54, -52.28 78.43, -16.27 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, -34.59 APE9-dihe-in -112.24, 136.57 APE8-dihe-in -76.84, 69.93 APE8-rot-na 35.57 APE67-dihe-in -75.09, -8.21 -54.81, -37.27 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.3992 None None None XRAY 1.8 0.19 0.215 A 317.0 283.0 19 32 13 19 [[1078, 1339]] 1.0 4eev TYR_MET_HUMAN TYR 7.6e-92 313.7 2.0 260.0 259.0 1221 1222 1223 1225 1227 1110 1127 1131 1201 1203 1202 1204.0 1265 1253 1248 1247 1246 1245 1244 1243 1242 1158 Hepatocyte growth factor receptor

Ligand: L1X (Merestinib)

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 100.0% 7AAYA
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 MERTK MERTK_HUMAN 7AAYA Q12866 571 862 999.0 L1X:60901 Type2 Inactive DFGout 15.2724 11.5525 BBAminus -158.07, -174.81 -144.2, 119.75 -72.18, -30.61 282.04, 79.68 81.94, 999.0 in-in in 8.7272 Saltbr-in 2.8075 HRD-in -70.71, -62.02 81.51, -21.97 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out TYR APEdihe_nnoai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, -56.79 APE8-dihe-out -51.76, -19.75 APE8-rot-na 333.06 APE67-dihe-in -71.89, -3.89 -51.82, -34.91 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 11.6609 None None None XRAY 1.87 0.197 0.224 A 294.0 270.0 18 30 12 18 [[587, 856]] 1.0 7aay Homo sapiens TYR_MERTK_HUMAN TYR 5.3e-93 317.0 2.0 261.0 260.0 740 741 742 744 746 619 637 641 720 722 721 723.0 782 770 765 764 763 762 761 760 759 672 Tyrosine-protein kinase Mer
TYR MET MET_HUMAN 4EEVA P08581 1045 1346 1390.0 L1X:1401 Type2 Inactive DFGout 14.8347 11.8107 BBAminus -150.99, -173.15 -148.09, 112.51 -69.31, -18.69 280.19, 68.72 62.91, 999.0 in-out in 9.4385 Saltbr-out 4.0185 HRD-in -69.54, -52.28 78.43, -16.27 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_niiai APEdist_aaai APE10-dihe-none 999.0, -34.59 APE9-dihe-in -112.24, 136.57 APE8-dihe-in -76.84, 69.93 APE8-rot-na 35.57 APE67-dihe-in -75.09, -8.21 -54.81, -37.27 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.3992 None None None XRAY 1.8 0.19 0.215 A 317.0 283.0 19 32 13 19 [[1078, 1339]] 1.0 4eev Homo sapiens TYR_MET_HUMAN TYR 7.6e-92 313.7 2.0 260.0 259.0 1221 1222 1223 1225 1227 1110 1127 1131 1201 1203 1202 1204.0 1265 1253 1248 1247 1246 1245 1244 1243 1242 1158 Hepatocyte growth factor receptor

Ligand: L1X (Merestinib)

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