Ligand: AU5

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% 5AP0A
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
OTHER TTK TTK_HUMAN 5AP0A P33981 519 795 857.0 AU5:61795 Type1 Inactive DFGin 3.9783 15.0028 ABAminus -96.76, -22.08 -146.7, 164.38 -110.23, 9.55 298.65, 161.95 70.1, 0.89 out-out out 11.0296 Saltbr-out 6.0499 HRD-in -65.89, -53.49 72.58, -3.97 out-out-out SNCooo out-out ActLoopNT-out 11.6332 ActLoopCT-out nonTYR APEdihe_aaini APEdist_nooo APE10-dihe-na -63.25, 124.33 APE9-dihe-na 59.83, 23.25 APE8-dihe-in -63.91, 141.71 APE8-rot-none 999.0 APE67-dihe-in -66.96, -16.22 -115.17, -7.01 APE12-dist-none 999.0 APE11-dist-out 16.0418 APE10-dist-out 15.6429 APE9-dist-out 10.4402 None TPO686 TPO686 XRAY 2.15 0.186 0.22 A 313.0 252.0 25 30 17 13 [[525, 791]] 1.0 5ap0 OTHER_TTK_HUMAN CAMK 8.3e-54 188.7 1.0 256.0 256.0 663 664 665 667 669 553 571 575 644 646 645 647.0 716 693 688 687 686 685 684 683 682 603 Dual specificity protein kinase TTK
OTHER TTK TTK_HUMAN 5AP3A P33981 519 794 857.0 AU5:61799 Type1 Inactive DFGin 3.7649 14.9222 ABAminus -71.81, -53.86 -135.34, 169.43 -108.89, 4.49 312.31, 146.57 78.37, 4.18 out-out out 10.8926 Saltbr-out 6.3905 HRD-in -63.22, -46.84 80.03, -8.42 out-out-out SNCooo out-out ActLoopNT-out 11.6168 ActLoopCT-out nonTYR APEdihe_aaini APEdist_iooo APE10-dihe-na -73.41, 128.83 APE9-dihe-na 68.53, 48.03 APE8-dihe-in -104.01, 128.39 APE8-rot-none 999.0 APE67-dihe-in -65.18, -22.8 -106.77, -2.15 APE12-dist-in 13.9565 APE11-dist-out 16.0915 APE10-dist-out 15.0093 APE9-dist-out 10.9961 S611G TPO686 TPO686 XRAY 2.7 0.192 0.236 A 313.0 251.0 25 30 18 12 [[525, 791]] 1.0 5ap3 OTHER_TTK_HUMAN CAMK 2.2e-53 187.3 1.0 256.0 256.0 663 664 665 667 669 553 571 575 644 646 645 647.0 716 693 688 687 686 685 684 683 682 603 Dual specificity protein kinase TTK

Ligand: AU5

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% 5AP0A
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
OTHER TTK TTK_HUMAN 5AP0A P33981 519 795 857.0 AU5:61795 Type1 Inactive DFGin 3.9783 15.0028 ABAminus -96.76, -22.08 -146.7, 164.38 -110.23, 9.55 298.65, 161.95 70.1, 0.89 out-out out 11.0296 Saltbr-out 6.0499 HRD-in -65.89, -53.49 72.58, -3.97 out-out-out SNCooo out-out ActLoopNT-out 11.6332 ActLoopCT-out nonTYR APEdihe_aaini APEdist_nooo APE10-dihe-na -63.25, 124.33 APE9-dihe-na 59.83, 23.25 APE8-dihe-in -63.91, 141.71 APE8-rot-none 999.0 APE67-dihe-in -66.96, -16.22 -115.17, -7.01 APE12-dist-none 999.0 APE11-dist-out 16.0418 APE10-dist-out 15.6429 APE9-dist-out 10.4402 None TPO686 TPO686 XRAY 2.15 0.186 0.22 A 313.0 252.0 25 30 17 13 [[525, 791]] 1.0 5ap0 Homo sapiens OTHER_TTK_HUMAN CAMK 8.3e-54 188.7 1.0 256.0 256.0 663 664 665 667 669 553 571 575 644 646 645 647.0 716 693 688 687 686 685 684 683 682 603 Dual specificity protein kinase TTK
OTHER TTK TTK_HUMAN 5AP3A P33981 519 794 857.0 AU5:61799 Type1 Inactive DFGin 3.7649 14.9222 ABAminus -71.81, -53.86 -135.34, 169.43 -108.89, 4.49 312.31, 146.57 78.37, 4.18 out-out out 10.8926 Saltbr-out 6.3905 HRD-in -63.22, -46.84 80.03, -8.42 out-out-out SNCooo out-out ActLoopNT-out 11.6168 ActLoopCT-out nonTYR APEdihe_aaini APEdist_iooo APE10-dihe-na -73.41, 128.83 APE9-dihe-na 68.53, 48.03 APE8-dihe-in -104.01, 128.39 APE8-rot-none 999.0 APE67-dihe-in -65.18, -22.8 -106.77, -2.15 APE12-dist-in 13.9565 APE11-dist-out 16.0915 APE10-dist-out 15.0093 APE9-dist-out 10.9961 S611G TPO686 TPO686 XRAY 2.7 0.192 0.236 A 313.0 251.0 25 30 18 12 [[525, 791]] 1.0 5ap3 Homo sapiens OTHER_TTK_HUMAN CAMK 2.2e-53 187.3 1.0 256.0 256.0 663 664 665 667 669 553 571 575 644 646 645 647.0 716 693 688 687 686 685 684 683 682 603 Dual specificity protein kinase TTK

Ligand: AU5

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