Ligand: Q4J (Pralsetinib, Gavreto)

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7JU5B
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 RET RET_HUMAN 7DU9A P07949 714 1011 1114.0 Q4J:61101 Type1 Inactive DFGin 6.949 14.121 BLAminus -130.33, -174.42 58.73, 65.36 -86.19, 8.31 283.62, 87.3 -63.28, -29.26 in-in in 7.298 Saltbr-in 2.844 HRD-in -74.67, -44.9 78.94, -42.52 in-in-out SNCiio in-out ActLoopNT-in 2.862 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -103.78, 19.67 APE9-dihe-in -82.89, 134.45 APE8-dihe-in -52.33, 137.21 APE8-rot-na 323.27 APE67-dihe-in -68.72, -8.49 -59.25, -37.83 APE12-dist-na 13.541 APE11-dist-na 9.167 APE10-dist-na 7.5 APE9-dist-in 5.474 None None None XRAY 2.31 0.22 0.249 A 314 285 13 0 0 0 [[724, 1007]] 1.0 7du9 TYR_RET_HUMAN TYR 4.1e-101 343.6 1 261 261 891 892 893 895 897 758 775 779 871 873 872 874 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret
TYR RET RET_HUMAN 7DU9B P07949 705 1012 1114.0 Q4J:61101 Type1 Inactive DFGin 6.942 14.815 BLAminus -140.75, -174.14 57.44, 65.56 -90.9, 8.95 281.01, 87.37 -61.32, -27.02 in-in in 7.623 Saltbr-in 2.94 HRD-in -75.71, -46.65 86.04, -41.97 in-in-out SNCiio in-out ActLoopNT-in 2.937 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -112.69, 12.26 APE9-dihe-in -84.37, 136.33 APE8-dihe-in -56.91, 135.68 APE8-rot-na 327.83 APE67-dihe-in -66.72, -12.27 -52.77, -41.0 APE12-dist-na 12.805 APE11-dist-na 9.585 APE10-dist-na 7.759 APE9-dist-in 5.511 None None None XRAY 2.31 0.22 0.249 B 314 268 36 0 0 10 [[724, 1007]] 1.0 7du9 TYR_RET_HUMAN TYR 4.1e-101 343.6 1 261 261 891 892 893 895 897 758 775 779 871 873 872 874 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret
TYR RET RET_HUMAN 7JU5A P07949 705 1013 1114.0 Q4J:61101 Type1 Inactive DFGin 6.879 14.834 BLAminus -128.61, -171.91 57.52, 65.29 -87.28, 11.68 279.55, 79.31 -66.81, -20.12 in-in in 7.632 Saltbr-in 2.8 HRD-in -84.47, -40.33 77.23, -28.95 in-in-out SNCiio in-out ActLoopNT-in 2.955 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -112.3, 14.29 APE9-dihe-in -89.88, 135.82 APE8-dihe-in -53.54, 134.95 APE8-rot-na 328.22 APE67-dihe-in -68.32, -11.15 -49.93, -45.95 APE12-dist-na 13.472 APE11-dist-na 9.512 APE10-dist-na 7.586 APE9-dist-in 5.414 None None None XRAY 1.9 0.191 0.247 A 314 282 27 0 0 8 [[724, 1007]] 1.0 7ju5 TYR_RET_HUMAN TYR 4.1e-101 343.6 1 261 261 891 892 893 895 897 758 775 779 871 873 872 874 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret
TYR RET RET_HUMAN 7JU5B P07949 710 1012 1114.0 Q4J:61101 Type1 Inactive DFGin 6.839 14.342 BLAminus -134.43, -173.06 58.09, 64.61 -89.98, 9.88 284.05, 81.83 -62.24, -29.8 in-in in 7.465 Saltbr-in 2.81 HRD-in -72.03, -43.23 72.95, -28.21 in-in-out SNCiio in-out ActLoopNT-in 2.867 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -114.77, 15.0 APE9-dihe-in -82.46, 132.21 APE8-dihe-in -46.89, 130.57 APE8-rot-na 330.41 APE67-dihe-in -67.96, -11.33 -51.31, -40.09 APE12-dist-na 13.48 APE11-dist-na 9.257 APE10-dist-na 7.587 APE9-dist-in 5.356 None None None XRAY 1.9 0.191 0.247 B 314 290 13 0 0 0 [[724, 1007]] 1.0 7ju5 TYR_RET_HUMAN TYR 4.1e-101 343.6 1 261 261 891 892 893 895 897 758 775 779 871 873 872 874 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret

Ligand: Q4J (Pralsetinib, Gavreto)

Total number of chains: 4
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 7JU5B
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 RET RET_HUMAN 7DU9A P07949 714 1011 1114.0 Q4J:61101 Type1 Inactive DFGin 6.949 14.121 BLAminus -130.33, -174.42 58.73, 65.36 -86.19, 8.31 283.62, 87.3 -63.28, -29.26 in-in in 7.298 Saltbr-in 2.844 HRD-in -74.67, -44.9 78.94, -42.52 in-in-out SNCiio in-out ActLoopNT-in 2.862 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -103.78, 19.67 APE9-dihe-in -82.89, 134.45 APE8-dihe-in -52.33, 137.21 APE8-rot-na 323.27 APE67-dihe-in -68.72, -8.49 -59.25, -37.83 APE12-dist-na 13.541 APE11-dist-na 9.167 APE10-dist-na 7.5 APE9-dist-in 5.474 None None None XRAY 2.31 0.22 0.249 A 314 285 13 0 0 0 [[724, 1007]] 1.0 7du9 Homo sapiens TYR_RET_HUMAN TYR 4.1e-101 343.6 1 261 261 891 892 893 895 897 758 775 779 871 873 872 874 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret
TYR RET RET_HUMAN 7DU9B P07949 705 1012 1114.0 Q4J:61101 Type1 Inactive DFGin 6.942 14.815 BLAminus -140.75, -174.14 57.44, 65.56 -90.9, 8.95 281.01, 87.37 -61.32, -27.02 in-in in 7.623 Saltbr-in 2.94 HRD-in -75.71, -46.65 86.04, -41.97 in-in-out SNCiio in-out ActLoopNT-in 2.937 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -112.69, 12.26 APE9-dihe-in -84.37, 136.33 APE8-dihe-in -56.91, 135.68 APE8-rot-na 327.83 APE67-dihe-in -66.72, -12.27 -52.77, -41.0 APE12-dist-na 12.805 APE11-dist-na 9.585 APE10-dist-na 7.759 APE9-dist-in 5.511 None None None XRAY 2.31 0.22 0.249 B 314 268 36 0 0 10 [[724, 1007]] 1.0 7du9 Homo sapiens TYR_RET_HUMAN TYR 4.1e-101 343.6 1 261 261 891 892 893 895 897 758 775 779 871 873 872 874 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret
TYR RET RET_HUMAN 7JU5A P07949 705 1013 1114.0 Q4J:61101 Type1 Inactive DFGin 6.879 14.834 BLAminus -128.61, -171.91 57.52, 65.29 -87.28, 11.68 279.55, 79.31 -66.81, -20.12 in-in in 7.632 Saltbr-in 2.8 HRD-in -84.47, -40.33 77.23, -28.95 in-in-out SNCiio in-out ActLoopNT-in 2.955 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -112.3, 14.29 APE9-dihe-in -89.88, 135.82 APE8-dihe-in -53.54, 134.95 APE8-rot-na 328.22 APE67-dihe-in -68.32, -11.15 -49.93, -45.95 APE12-dist-na 13.472 APE11-dist-na 9.512 APE10-dist-na 7.586 APE9-dist-in 5.414 None None None XRAY 1.9 0.191 0.247 A 314 282 27 0 0 8 [[724, 1007]] 1.0 7ju5 Homo sapiens TYR_RET_HUMAN TYR 4.1e-101 343.6 1 261 261 891 892 893 895 897 758 775 779 871 873 872 874 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret
TYR RET RET_HUMAN 7JU5B P07949 710 1012 1114.0 Q4J:61101 Type1 Inactive DFGin 6.839 14.342 BLAminus -134.43, -173.06 58.09, 64.61 -89.98, 9.88 284.05, 81.83 -62.24, -29.8 in-in in 7.465 Saltbr-in 2.81 HRD-in -72.03, -43.23 72.95, -28.21 in-in-out SNCiio in-out ActLoopNT-in 2.867 ActLoopCT-out TYR APEdihe_oiiai APEdist_aaai APE10-dihe-out -114.77, 15.0 APE9-dihe-in -82.46, 132.21 APE8-dihe-in -46.89, 130.57 APE8-rot-na 330.41 APE67-dihe-in -67.96, -11.33 -51.31, -40.09 APE12-dist-na 13.48 APE11-dist-na 9.257 APE10-dist-na 7.587 APE9-dist-in 5.356 None None None XRAY 1.9 0.191 0.247 B 314 290 13 0 0 0 [[724, 1007]] 1.0 7ju5 Homo sapiens TYR_RET_HUMAN TYR 4.1e-101 343.6 1 261 261 891 892 893 895 897 758 775 779 871 873 872 874 933 921 916 915 914 913 912 911 910 805 Proto-oncogene tyrosine-protein kinase receptor Ret

Ligand: Q4J (Pralsetinib, Gavreto)

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