Ligand: A9I (Altiratinib)

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 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

Ligand: A9I (Altiratinib)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout None 2 100.0% 7Q4AB
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
CMGC PRP4K S7UT92_TOXGG 7Q4AA S7UT92 547 894 928.0 A9I:60401 Type2 Inactive DFGout 13.9184 6.4714 None -144.58, 169.37 -127.36, 78.19 -137.7, 43.09 204.71, 49.1 -133.86, 14.15 in-in in 8.8633 Saltbr-in 3.1725 HRD-in -85.78, -56.82 71.39, 3.41 in-out-out SNCioo out-out ActLoopNT-out 15.8539 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oooo APE10-dihe-na -75.04, -28.65 APE9-dihe-na -71.8, -42.93 APE8-dihe-out -60.42, -28.61 APE8-rot-in 298.14 APE67-dihe-in -57.17, -27.99 -58.12, -33.74 APE12-dist-out 4.2993 APE11-dist-out 7.2302 APE10-dist-out 11.0686 APE9-dist-out 10.6969 None PTR729 PTR729 XRAY 2.31 0.203 0.219 A 370.0 335.0 13 26 26 0 [[567, 890]] 1.0 7q4a Toxoplasma gondii CMGC_PRP4K_TOXGG CMGC 1.1e-76 264.2 5.0 301.0 297.0 713 714 715 717 719 597 612 616 692 694 693 695.0 751 739 734 733 732 731 730 729 728 648 non-specific serine/threonine protein kinase
CMGC PRP4K S7UT92_TOXGG 7Q4AB S7UT92 546 891 928.0 A9I:60401 Type2 Inactive DFGout 14.7828 8.5277 None -128.62, 161.71 -121.05, 72.34 -64.49, -41.84 224.7, 141.1 77.82, -149.05 in-out in 9.2698 Saltbr-out 6.6195 HRD-in -81.37, -54.41 69.31, 7.54 out-out-out SNCooo out-out ActLoopNT-out 17.1681 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -68.77, -39.97 APE9-dihe-na -67.6, -45.19 APE8-dihe-out -53.7, -30.61 APE8-rot-in 268.24 APE67-dihe-in -61.5, -20.2 -66.27, -26.95 APE12-dist-out 6.4334 APE11-dist-in 10.0613 APE10-dist-out 13.7373 APE9-dist-out 11.5236 None PTR729 PTR729 XRAY 2.31 0.203 0.219 B 370.0 346.0 0 26 26 0 [[567, 890]] 1.0 7q4a Toxoplasma gondii CMGC_PRP4K_TOXGG CMGC 1.1e-76 264.2 5.0 301.0 297.0 713 714 715 717 719 597 612 616 692 694 693 695.0 751 739 734 733 732 731 730 729 728 648 non-specific serine/threonine protein kinase

Ligand: A9I (Altiratinib)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout None 2 100.0% 7Q4AB
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
CMGC PRP4K S7UT92_TOXGG 7Q4AA S7UT92 547 894 928.0 A9I:60401 Type2 Inactive DFGout 13.9184 6.4714 None -144.58, 169.37 -127.36, 78.19 -137.7, 43.09 204.71, 49.1 -133.86, 14.15 in-in in 8.8633 Saltbr-in 3.1725 HRD-in -85.78, -56.82 71.39, 3.41 in-out-out SNCioo out-out ActLoopNT-out 15.8539 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oooo APE10-dihe-na -75.04, -28.65 APE9-dihe-na -71.8, -42.93 APE8-dihe-out -60.42, -28.61 APE8-rot-in 298.14 APE67-dihe-in -57.17, -27.99 -58.12, -33.74 APE12-dist-out 4.2993 APE11-dist-out 7.2302 APE10-dist-out 11.0686 APE9-dist-out 10.6969 None PTR729 PTR729 XRAY 2.31 0.203 0.219 A 370.0 335.0 13 26 26 0 [[567, 890]] 1.0 7q4a Toxoplasma gondii CMGC_PRP4K_TOXGG CMGC 1.1e-76 264.2 5.0 301.0 297.0 713 714 715 717 719 597 612 616 692 694 693 695.0 751 739 734 733 732 731 730 729 728 648 non-specific serine/threonine protein kinase
CMGC PRP4K S7UT92_TOXGG 7Q4AB S7UT92 546 891 928.0 A9I:60401 Type2 Inactive DFGout 14.7828 8.5277 None -128.62, 161.71 -121.05, 72.34 -64.49, -41.84 224.7, 141.1 77.82, -149.05 in-out in 9.2698 Saltbr-out 6.6195 HRD-in -81.37, -54.41 69.31, 7.54 out-out-out SNCooo out-out ActLoopNT-out 17.1681 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_oioo APE10-dihe-na -68.77, -39.97 APE9-dihe-na -67.6, -45.19 APE8-dihe-out -53.7, -30.61 APE8-rot-in 268.24 APE67-dihe-in -61.5, -20.2 -66.27, -26.95 APE12-dist-out 6.4334 APE11-dist-in 10.0613 APE10-dist-out 13.7373 APE9-dist-out 11.5236 None PTR729 PTR729 XRAY 2.31 0.203 0.219 B 370.0 346.0 0 26 26 0 [[567, 890]] 1.0 7q4a Toxoplasma gondii CMGC_PRP4K_TOXGG CMGC 1.1e-76 264.2 5.0 301.0 297.0 713 714 715 717 719 597 612 616 692 694 693 695.0 751 739 734 733 732 731 730 729 728 648 non-specific serine/threonine protein kinase