Ligand: C6F (Gilteritinib)

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 1 50.0% 7AB1A
DFGout None 1 50.0% 6JQRA
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 FLT3 FLT3_HUMAN 6JQRA P36888 571 951 993.0 C6F:1001 Type1 Inactive DFGout 15.3937 10.8847 None -119.73, 157.71 -104.23, 115.68 77.2, 999.0 255.94, 91.42 999.0, 999.0 in-in in 8.3262 Saltbr-in 2.8041 HRD-out -98.26, 117.82 -85.48, 11.47 in-none-in SNCini none-in ActLoopNT-none 999.0 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -131.05, 100.76 APE9-dihe-in -103.87, 123.04 APE8-dihe-in -78.74, 70.62 APE8-rot-na 34.5 APE67-dihe-in -69.1, -11.06 -54.04, -46.43 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.223 None None None XRAY 2.2 0.181 0.213 A 330.0 301.0 29 30 24 6 [[610, 945]] 1.0 6jqr TYR_FLT3_HUMAN TYR 8.5e-103 349.1 1.0 259.0 259.0 828 829 830 832 834 644 661 665 808 810 809 811.0 870 858 853 852 851 850 849 848 847 692 Receptor-type tyrosine-protein kinase FLT3
TYR MERTK MERTK_HUMAN 7AB1A Q12866 571 862 999.0 C6F:60901 Type1 Inactive DFGin 5.8722 13.5268 None -150.27, 178.21 48.78, 48.66 -107.87, 999.0 41.9, 85.18 999.0, 999.0 out-out out 12.8443 Saltbr-out 9.5657 HRD-in -84.92, -52.07 85.67, -41.55 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 62.29 APE8-rot-na 36.31 APE67-dihe-in -65.53, -14.5 -57.08, -42.11 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 K591R,K693R,K702R,K856R None None XRAY 1.93 0.237 0.298 A 298.0 267.0 25 30 10 20 [[587, 856]] 1.0 7ab1 TYR_MERTK_HUMAN TYR 2.3e-92 314.9 2.0 260.0 259.0 740 741 742 744 746 619 637 641 720 722 721 723.0 782 770 765 764 763 762 761 760 759 672 Tyrosine-protein kinase Mer

Ligand: C6F (Gilteritinib)

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 1 50.0% 7AB1A
DFGout None 1 50.0% 6JQRA
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 FLT3 FLT3_HUMAN 6JQRA P36888 571 951 993.0 C6F:1001 Type1 Inactive DFGout 15.3937 10.8847 None -119.73, 157.71 -104.23, 115.68 77.2, 999.0 255.94, 91.42 999.0, 999.0 in-in in 8.3262 Saltbr-in 2.8041 HRD-out -98.26, 117.82 -85.48, 11.47 in-none-in SNCini none-in ActLoopNT-none 999.0 ActLoopCT-in TYR APEdihe_iiiai APEdist_aaai APE10-dihe-in -131.05, 100.76 APE9-dihe-in -103.87, 123.04 APE8-dihe-in -78.74, 70.62 APE8-rot-na 34.5 APE67-dihe-in -69.1, -11.06 -54.04, -46.43 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.223 None None None XRAY 2.2 0.181 0.213 A 330.0 301.0 29 30 24 6 [[610, 945]] 1.0 6jqr Homo sapiens TYR_FLT3_HUMAN TYR 8.5e-103 349.1 1.0 259.0 259.0 828 829 830 832 834 644 661 665 808 810 809 811.0 870 858 853 852 851 850 849 848 847 692 Receptor-type tyrosine-protein kinase FLT3
TYR MERTK MERTK_HUMAN 7AB1A Q12866 571 862 999.0 C6F:60901 Type1 Inactive DFGin 5.8722 13.5268 None -150.27, 178.21 48.78, 48.66 -107.87, 999.0 41.9, 85.18 999.0, 999.0 out-out out 12.8443 Saltbr-out 9.5657 HRD-in -84.92, -52.07 85.67, -41.55 out-none-none SNConn none-none ActLoopNT-none 999.0 ActLoopCT-none TYR APEdihe_nnnai APEdist_aaan APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 999.0 APE8-dihe-none 999.0, 62.29 APE8-rot-na 36.31 APE67-dihe-in -65.53, -14.5 -57.08, -42.11 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-none 999.0 K591R,K693R,K702R,K856R None None XRAY 1.93 0.237 0.298 A 298.0 267.0 25 30 10 20 [[587, 856]] 1.0 7ab1 Homo sapiens TYR_MERTK_HUMAN TYR 2.3e-92 314.9 2.0 260.0 259.0 740 741 742 744 746 619 637 641 720 722 721 723.0 782 770 765 764 763 762 761 760 759 672 Tyrosine-protein kinase Mer

Ligand: C6F (Gilteritinib)

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