Ligand: 7RO

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% 4C4GA
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 4C4GA P33981 519 794 857.0 7RO:61796 Type1 Inactive DFGin 3.9507 14.9105 ABAminus -95.92, -23.51 -152.6, 169.34 -115.91, 15.19 313.37, 131.38 68.79, 7.18 out-out out 10.4725 Saltbr-out 6.4011 HRD-in -66.58, -56.34 70.86, -10.66 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaono APEdist_nnoo APE10-dihe-na 999.0, -23.29 APE9-dihe-na 75.51, 47.64 APE8-dihe-out -83.97, -34.84 APE8-rot-none 999.0 APE67-dihe-out -67.58, -18.15 68.34, -13.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 15.7424 APE9-dist-out 10.0984 None TPO686 TPO686 XRAY 2.65 0.194 0.223 A 313.0 248.0 28 30 15 15 [[525, 791]] 1.0 4c4g 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 4C4HA P33981 519 794 857.0 7RO:61795 Type1 Inactive DFGin 3.9512 14.7878 ABAminus -80.93, -53.88 -130.38, 169.34 -111.71, 6.58 311.9, 132.59 84.63, -4.86 out-out out 10.6984 Saltbr-out 6.3463 HRD-in -63.34, -62.87 84.67, -29.96 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 148.95 APE8-rot-out 194.44 APE67-dihe-in -60.4, -21.07 -128.85, -4.66 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.199 0.241 A 313.0 245.0 31 30 13 17 [[525, 791]] 1.0 4c4h 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 5AP5A P33981 519 794 857.0 7RO:61795,1KA:61796 Type1,Type1 Inactive DFGin 3.9362 14.9301 ABAminus -78.19, -51.66 -127.65, 173.7 -118.82, 17.68 309.34, 138.77 57.34, 35.63 out-out out 11.1518 Saltbr-out 5.6498 HRD-in -63.52, -47.29 78.68, -5.43 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 112.65 APE8-dihe-in -71.0, 149.52 APE8-rot-out 187.62 APE67-dihe-in -58.84, -28.01 -101.03, -8.19 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.7748 S611G None None XRAY 2.8 0.205 0.246 A 313.0 248.0 28 30 14 16 [[525, 791]] 1.0 5ap5 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: 7RO

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% 4C4GA
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 4C4GA P33981 519 794 857.0 7RO:61796 Type1 Inactive DFGin 3.9507 14.9105 ABAminus -95.92, -23.51 -152.6, 169.34 -115.91, 15.19 313.37, 131.38 68.79, 7.18 out-out out 10.4725 Saltbr-out 6.4011 HRD-in -66.58, -56.34 70.86, -10.66 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaono APEdist_nnoo APE10-dihe-na 999.0, -23.29 APE9-dihe-na 75.51, 47.64 APE8-dihe-out -83.97, -34.84 APE8-rot-none 999.0 APE67-dihe-out -67.58, -18.15 68.34, -13.32 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-out 15.7424 APE9-dist-out 10.0984 None TPO686 TPO686 XRAY 2.65 0.194 0.223 A 313.0 248.0 28 30 15 15 [[525, 791]] 1.0 4c4g 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 4C4HA P33981 519 794 857.0 7RO:61795 Type1 Inactive DFGin 3.9512 14.7878 ABAminus -80.93, -53.88 -130.38, 169.34 -111.71, 6.58 311.9, 132.59 84.63, -4.86 out-out out 10.6984 Saltbr-out 6.3463 HRD-in -63.34, -62.87 84.67, -29.96 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 148.95 APE8-rot-out 194.44 APE67-dihe-in -60.4, -21.07 -128.85, -4.66 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.8 0.199 0.241 A 313.0 245.0 31 30 13 17 [[525, 791]] 1.0 4c4h 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 5AP5A P33981 519 794 857.0 7RO:61795,1KA:61796 Type1,Type1 Inactive DFGin 3.9362 14.9301 ABAminus -78.19, -51.66 -127.65, 173.7 -118.82, 17.68 309.34, 138.77 57.34, 35.63 out-out out 11.1518 Saltbr-out 5.6498 HRD-in -63.52, -47.29 78.68, -5.43 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 112.65 APE8-dihe-in -71.0, 149.52 APE8-rot-out 187.62 APE67-dihe-in -58.84, -28.01 -101.03, -8.19 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 10.7748 S611G None None XRAY 2.8 0.205 0.246 A 313.0 248.0 28 30 14 16 [[525, 791]] 1.0 5ap5 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: 7RO

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