Ligand: 8QW (Empesertib)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 5N9SA
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
OTHER TTK TTK_HUMAN 6TNBA P33981 517 794 857.0 8QW:901 Type1.5_Front Inactive DFGin 3.852 15.094 ABAminus -120.69, -13.19 -153.82, 168.98 -122.43, 7.93 296.97, 146.25 65.5, 17.91 out-out out 11.011 Saltbr-out 8.542 HRD-in -60.06, -45.03 76.67, -3.67 out-out-out SNCooo out-out ActLoopNT-out 12.114 ActLoopCT-out nonTYR APEdihe_aaini APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 47.02 APE8-dihe-in -74.89, 162.5 APE8-rot-none 999.0 APE67-dihe-in -76.36, -29.64 -145.32, 10.05 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.114 None TPO686 TPO686 XRAY 2.65 0.215 0.262 A 294 252 26 0 0 15 [[525, 791]] 1.0 6tnb OTHER_TTK_HUMAN CAMK 6.6e-54 188.9 1 256 256 663 664 665 667 669 553 571 575 644 646 645 647 716 693 688 687 686 685 684 683 682 603 Dual specificity protein kinase TTK
OTHER TTK TTK_HUMAN 5N9SA P33981 519 794 857.0 8QW:60901 Type1.5_Front Inactive DFGin 3.866 14.796 ABAminus -103.91, -21.18 -148.36, 167.12 -113.73, -1.29 297.53, 126.79 78.88, 15.58 out-out out 10.96 Saltbr-out 9.124 HRD-in -76.88, -53.0 67.73, 3.84 out-out-out SNCooo out-out ActLoopNT-out 11.817 ActLoopCT-out nonTYR APEdihe_aaini APEdist_oooo APE10-dihe-na 176.56, 127.56 APE9-dihe-na 70.2, 2.51 APE8-dihe-in -61.92, 151.57 APE8-rot-none 999.0 APE67-dihe-in -61.07, -20.0 -114.51, -10.18 APE12-dist-out 19.555 APE11-dist-out 17.191 APE10-dist-out 14.162 APE9-dist-out 10.05 None TPO686 TPO686 XRAY 2.3 0.194 0.245 A 313 257 19 0 0 7 [[525, 791]] 1.0 5n9s OTHER_TTK_HUMAN CAMK 8.3e-54 188.7 1 256 256 663 664 665 667 669 553 571 575 644 646 645 647 716 693 688 687 686 685 684 683 682 603 Dual specificity protein kinase TTK

Ligand: 8QW (Empesertib)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 5N9SA
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
OTHER TTK TTK_HUMAN 6TNBA P33981 517 794 857.0 8QW:901 Type1.5_Front Inactive DFGin 3.852 15.094 ABAminus -120.69, -13.19 -153.82, 168.98 -122.43, 7.93 296.97, 146.25 65.5, 17.91 out-out out 11.011 Saltbr-out 8.542 HRD-in -60.06, -45.03 76.67, -3.67 out-out-out SNCooo out-out ActLoopNT-out 12.114 ActLoopCT-out nonTYR APEdihe_aaini APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 47.02 APE8-dihe-in -74.89, 162.5 APE8-rot-none 999.0 APE67-dihe-in -76.36, -29.64 -145.32, 10.05 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.114 None TPO686 TPO686 XRAY 2.65 0.215 0.262 A 294 252 26 0 0 15 [[525, 791]] 1.0 6tnb Homo sapiens OTHER_TTK_HUMAN CAMK 6.6e-54 188.9 1 256 256 663 664 665 667 669 553 571 575 644 646 645 647 716 693 688 687 686 685 684 683 682 603 Dual specificity protein kinase TTK
OTHER TTK TTK_HUMAN 5N9SA P33981 519 794 857.0 8QW:60901 Type1.5_Front Inactive DFGin 3.866 14.796 ABAminus -103.91, -21.18 -148.36, 167.12 -113.73, -1.29 297.53, 126.79 78.88, 15.58 out-out out 10.96 Saltbr-out 9.124 HRD-in -76.88, -53.0 67.73, 3.84 out-out-out SNCooo out-out ActLoopNT-out 11.817 ActLoopCT-out nonTYR APEdihe_aaini APEdist_oooo APE10-dihe-na 176.56, 127.56 APE9-dihe-na 70.2, 2.51 APE8-dihe-in -61.92, 151.57 APE8-rot-none 999.0 APE67-dihe-in -61.07, -20.0 -114.51, -10.18 APE12-dist-out 19.555 APE11-dist-out 17.191 APE10-dist-out 14.162 APE9-dist-out 10.05 None TPO686 TPO686 XRAY 2.3 0.194 0.245 A 313 257 19 0 0 7 [[525, 791]] 1.0 5n9s Homo sapiens OTHER_TTK_HUMAN CAMK 8.3e-54 188.7 1 256 256 663 664 665 667 669 553 571 575 644 646 645 647 716 693 688 687 686 685 684 683 682 603 Dual specificity protein kinase TTK

Ligand: 8QW (Empesertib)

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