Ligand: O38

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 100.0% 5AP1A
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 5AP1A P33981 519 795 857.0 O38:61796 Type1 Inactive DFGin 4.1088 14.7281 ABAminus -89.0, -45.75 -136.45, 170.67 -110.11, 13.99 300.68, 155.11 70.41, 10.72 in-out in 9.6633 Saltbr-out 6.1057 HRD-in -65.37, -51.62 69.07, -9.73 out-out-out SNCooo out-out ActLoopNT-out 12.2118 ActLoopCT-out nonTYR APEdihe_aaini APEdist_nnoo APE10-dihe-na 999.0, 139.28 APE9-dihe-na -84.72, -171.47 APE8-dihe-in -119.66, 146.5 APE8-rot-none 999.0 APE67-dihe-in -60.78, -20.45 -114.29, -8.4 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 19.8656 APE9-dist-out 12.4044 None TPO675,TPO676,SEP677,TPO686 TPO675,TPO676,SEP677,TPO686 XRAY 2.05 0.195 0.211 A 313.0 268.0 9 30 28 2 [[525, 791]] 1.0 5ap1 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 3WYXA P33981 516 795 857.0 O38:902 Type1 Inactive DFGin 3.839 14.4009 ABAminus -92.88, -48.98 -138.38, 177.59 -116.03, 10.0 308.72, 129.43 75.11, 2.89 in-out in 9.7357 Saltbr-out 5.9966 HRD-out -64.04, 113.3 -83.23, 11.65 out-out-out SNCooo out-out ActLoopNT-out 12.0726 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 88.77 APE8-dihe-in -123.04, 145.7 APE8-rot-out 168.34 APE67-dihe-in -60.5, -36.82 -102.78, 9.66 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.6667 None None None XRAY 2.9 0.234 0.273 A 321.0 258.0 22 30 19 11 [[525, 791]] 1.0 3wyx OTHER_TTK_HUMAN CAMK 9.1e-54 188.4 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 5AP4A P33981 519 794 857.0 O38:61795 Type1 Inactive DFGin 3.8933 14.6499 ABAminus -77.41, -43.92 -141.98, 172.86 -114.54, 10.04 314.02, 147.43 47.66, 52.13 out-out out 10.6444 Saltbr-out 5.0251 HRD-in -63.63, -47.01 77.61, -5.77 out-out-out SNCooo out-out ActLoopNT-out 11.4701 ActLoopCT-out nonTYR APEdihe_aaini APEdist_nooo APE10-dihe-na -72.43, 107.58 APE9-dihe-na 57.19, 49.68 APE8-dihe-in -65.83, 162.62 APE8-rot-none 999.0 APE67-dihe-in -58.82, -25.47 -129.9, -17.39 APE12-dist-none 999.0 APE11-dist-out 16.4862 APE10-dist-out 16.147 APE9-dist-out 10.0398 S611G TPO686 TPO686 XRAY 2.85 0.198 0.226 A 313.0 254.0 22 30 21 9 [[525, 791]] 1.0 5ap4 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: O38

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 3 100.0% 5AP1A
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 5AP1A P33981 519 795 857.0 O38:61796 Type1 Inactive DFGin 4.1088 14.7281 ABAminus -89.0, -45.75 -136.45, 170.67 -110.11, 13.99 300.68, 155.11 70.41, 10.72 in-out in 9.6633 Saltbr-out 6.1057 HRD-in -65.37, -51.62 69.07, -9.73 out-out-out SNCooo out-out ActLoopNT-out 12.2118 ActLoopCT-out nonTYR APEdihe_aaini APEdist_nnoo APE10-dihe-na 999.0, 139.28 APE9-dihe-na -84.72, -171.47 APE8-dihe-in -119.66, 146.5 APE8-rot-none 999.0 APE67-dihe-in -60.78, -20.45 -114.29, -8.4 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 19.8656 APE9-dist-out 12.4044 None TPO675,TPO676,SEP677,TPO686 TPO675,TPO676,SEP677,TPO686 XRAY 2.05 0.195 0.211 A 313.0 268.0 9 30 28 2 [[525, 791]] 1.0 5ap1 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 3WYXA P33981 516 795 857.0 O38:902 Type1 Inactive DFGin 3.839 14.4009 ABAminus -92.88, -48.98 -138.38, 177.59 -116.03, 10.0 308.72, 129.43 75.11, 2.89 in-out in 9.7357 Saltbr-out 5.9966 HRD-out -64.04, 113.3 -83.23, 11.65 out-out-out SNCooo out-out ActLoopNT-out 12.0726 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 88.77 APE8-dihe-in -123.04, 145.7 APE8-rot-out 168.34 APE67-dihe-in -60.5, -36.82 -102.78, 9.66 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.6667 None None None XRAY 2.9 0.234 0.273 A 321.0 258.0 22 30 19 11 [[525, 791]] 1.0 3wyx Homo sapiens OTHER_TTK_HUMAN CAMK 9.1e-54 188.4 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 5AP4A P33981 519 794 857.0 O38:61795 Type1 Inactive DFGin 3.8933 14.6499 ABAminus -77.41, -43.92 -141.98, 172.86 -114.54, 10.04 314.02, 147.43 47.66, 52.13 out-out out 10.6444 Saltbr-out 5.0251 HRD-in -63.63, -47.01 77.61, -5.77 out-out-out SNCooo out-out ActLoopNT-out 11.4701 ActLoopCT-out nonTYR APEdihe_aaini APEdist_nooo APE10-dihe-na -72.43, 107.58 APE9-dihe-na 57.19, 49.68 APE8-dihe-in -65.83, 162.62 APE8-rot-none 999.0 APE67-dihe-in -58.82, -25.47 -129.9, -17.39 APE12-dist-none 999.0 APE11-dist-out 16.4862 APE10-dist-out 16.147 APE9-dist-out 10.0398 S611G TPO686 TPO686 XRAY 2.85 0.198 0.226 A 313.0 254.0 22 30 21 9 [[525, 791]] 1.0 5ap4 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: O38

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