Ligand: PWU

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% 5AP6A
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 5AP2A P33981 519 794 857.0 PWU:61795 Type1 Inactive DFGin 3.691 14.021 ABAminus -79.91, -47.41 -141.0, 175.42 -113.38, 7.32 320.57, 109.97 89.57, -32.6 in-in in 9.7242 Saltbr-in 3.3984 HRD-in -63.17, -34.41 72.38, -58.43 in-out-out SNCioo out-out ActLoopNT-out 12.8241 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 169.79 APE8-dihe-in -98.15, 169.16 APE8-rot-out 194.76 APE67-dihe-in -65.72, -14.71 -128.84, -2.63 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.6585 None None None XRAY 2.8 0.197 0.254 A 313.0 253.0 23 30 20 10 [[525, 791]] 1.0 5ap2 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 5AP6A P33981 519 794 857.0 PWU:61795 Type1 Inactive DFGin 4.0071 14.3006 ABAminus -114.86, -13.47 -145.86, 158.61 -108.81, 9.51 308.42, 109.78 72.17, 20.89 in-in in 9.9065 Saltbr-in 2.9635 HRD-in -61.13, -55.8 72.48, -11.9 in-out-out SNCioo out-out ActLoopNT-out 12.9974 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -48.78, 124.97 APE9-dihe-na -141.21, -168.37 APE8-dihe-in -169.63, 134.85 APE8-rot-out 190.42 APE67-dihe-in -54.56, -26.33 -104.78, -10.65 APE12-dist-out 18.0487 APE11-dist-out 19.9004 APE10-dist-out 18.3065 APE9-dist-out 11.7896 C604W None None XRAY 2.1 0.183 0.209 A 313.0 259.0 17 30 24 6 [[525, 791]] 1.0 5ap6 OTHER_TTK_HUMAN CAMK 2.5e-53 187.1 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: PWU

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% 5AP6A
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 5AP2A P33981 519 794 857.0 PWU:61795 Type1 Inactive DFGin 3.691 14.021 ABAminus -79.91, -47.41 -141.0, 175.42 -113.38, 7.32 320.57, 109.97 89.57, -32.6 in-in in 9.7242 Saltbr-in 3.3984 HRD-in -63.17, -34.41 72.38, -58.43 in-out-out SNCioo out-out ActLoopNT-out 12.8241 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 169.79 APE8-dihe-in -98.15, 169.16 APE8-rot-out 194.76 APE67-dihe-in -65.72, -14.71 -128.84, -2.63 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.6585 None None None XRAY 2.8 0.197 0.254 A 313.0 253.0 23 30 20 10 [[525, 791]] 1.0 5ap2 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 5AP6A P33981 519 794 857.0 PWU:61795 Type1 Inactive DFGin 4.0071 14.3006 ABAminus -114.86, -13.47 -145.86, 158.61 -108.81, 9.51 308.42, 109.78 72.17, 20.89 in-in in 9.9065 Saltbr-in 2.9635 HRD-in -61.13, -55.8 72.48, -11.9 in-out-out SNCioo out-out ActLoopNT-out 12.9974 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oooo APE10-dihe-na -48.78, 124.97 APE9-dihe-na -141.21, -168.37 APE8-dihe-in -169.63, 134.85 APE8-rot-out 190.42 APE67-dihe-in -54.56, -26.33 -104.78, -10.65 APE12-dist-out 18.0487 APE11-dist-out 19.9004 APE10-dist-out 18.3065 APE9-dist-out 11.7896 C604W None None XRAY 2.1 0.183 0.209 A 313.0 259.0 17 30 24 6 [[525, 791]] 1.0 5ap6 Homo sapiens OTHER_TTK_HUMAN CAMK 2.5e-53 187.1 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: PWU

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