Ligand: 7GI (Repotrectinib)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 7VKNA
DFGin None 1 50.0% 7VKOA
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 NTRK1 NTRK1_HUMAN 7VKNA P04629 502 794 796.0 7GI:60801 Type1 Inactive DFGin 5.9835 13.0168 ABAminus -115.39, -41.87 -131.41, 143.63 -111.24, 20.98 314.85, 71.2 75.66, -101.93 in-out in 9.3829 Saltbr-out 4.9157 HRD-out -83.04, 118.83 -102.62, 15.46 out-out-in SNCooi out-in ActLoopNT-out 12.754 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -113.12, 137.74 APE9-dihe-in -119.62, 140.33 APE8-dihe-in -80.18, 72.83 APE8-rot-na 34.86 APE67-dihe-in -69.38, -23.62 -70.62, -21.09 APE12-dist-na 11.4199 APE11-dist-na 12.7924 APE10-dist-na 11.8576 APE9-dist-in 6.5849 G595R None None XRAY 2.7 0.186 0.256 A 326.0 292.0 1 30 29 1 [[510, 783]] 1.0 7vkn TYR_NTRK1_HUMAN TYR 1.3e-98 335.4 2.0 260.0 259.0 667 668 669 671 673 544 560 564 647 649 648 650.0 709 697 692 691 690 689 688 687 686 590 High affinity nerve growth factor receptor
TYR NTRK1 NTRK1_HUMAN 7VKOA P04629 502 793 796.0 7GI:60801 Type1 Inactive DFGin 6.3309 13.7935 None -121.29, -23.19 -130.55, 158.61 -131.43, -91.62 300.81, 84.28 -89.58, -178.74 in-out in 9.271 Saltbr-out 4.8438 HRD-out -83.55, 115.94 -93.33, 10.49 out-out-in SNCooi out-in ActLoopNT-out 15.2129 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -133.01, 135.08 APE9-dihe-in -120.4, 150.84 APE8-dihe-in -84.95, 78.96 APE8-rot-na 37.61 APE67-dihe-in -53.21, -25.59 -47.58, -54.99 APE12-dist-na 10.7383 APE11-dist-na 11.7728 APE10-dist-na 9.7313 APE9-dist-in 6.3483 None None None XRAY 2.9 0.188 0.267 A 326.0 292.0 0 30 30 0 [[510, 783]] 1.0 7vko TYR_NTRK1_HUMAN TYR 2.4e-100 341.1 2.0 260.0 259.0 667 668 669 671 673 544 560 564 647 649 648 650.0 709 697 692 691 690 689 688 687 686 590 High affinity nerve growth factor receptor

Ligand: 7GI (Repotrectinib)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 7VKNA
DFGin None 1 50.0% 7VKOA
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 NTRK1 NTRK1_HUMAN 7VKNA P04629 502 794 796.0 7GI:60801 Type1 Inactive DFGin 5.9835 13.0168 ABAminus -115.39, -41.87 -131.41, 143.63 -111.24, 20.98 314.85, 71.2 75.66, -101.93 in-out in 9.3829 Saltbr-out 4.9157 HRD-out -83.04, 118.83 -102.62, 15.46 out-out-in SNCooi out-in ActLoopNT-out 12.754 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -113.12, 137.74 APE9-dihe-in -119.62, 140.33 APE8-dihe-in -80.18, 72.83 APE8-rot-na 34.86 APE67-dihe-in -69.38, -23.62 -70.62, -21.09 APE12-dist-na 11.4199 APE11-dist-na 12.7924 APE10-dist-na 11.8576 APE9-dist-in 6.5849 G595R None None XRAY 2.7 0.186 0.256 A 326.0 292.0 1 30 29 1 [[510, 783]] 1.0 7vkn Homo sapiens TYR_NTRK1_HUMAN TYR 1.3e-98 335.4 2.0 260.0 259.0 667 668 669 671 673 544 560 564 647 649 648 650.0 709 697 692 691 690 689 688 687 686 590 High affinity nerve growth factor receptor
TYR NTRK1 NTRK1_HUMAN 7VKOA P04629 502 793 796.0 7GI:60801 Type1 Inactive DFGin 6.3309 13.7935 None -121.29, -23.19 -130.55, 158.61 -131.43, -91.62 300.81, 84.28 -89.58, -178.74 in-out in 9.271 Saltbr-out 4.8438 HRD-out -83.55, 115.94 -93.33, 10.49 out-out-in SNCooi out-in ActLoopNT-out 15.2129 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -133.01, 135.08 APE9-dihe-in -120.4, 150.84 APE8-dihe-in -84.95, 78.96 APE8-rot-na 37.61 APE67-dihe-in -53.21, -25.59 -47.58, -54.99 APE12-dist-na 10.7383 APE11-dist-na 11.7728 APE10-dist-na 9.7313 APE9-dist-in 6.3483 None None None XRAY 2.9 0.188 0.267 A 326.0 292.0 0 30 30 0 [[510, 783]] 1.0 7vko Homo sapiens TYR_NTRK1_HUMAN TYR 2.4e-100 341.1 2.0 260.0 259.0 667 668 669 671 673 544 560 564 647 649 648 650.0 709 697 692 691 690 689 688 687 686 590 High affinity nerve growth factor receptor

Ligand: 7GI (Repotrectinib)

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