Ligand: 537

Total number of chains: 4
Active chains: 1
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 50.0% 1UKIA
DFGin BLAminus 1 25.0% 5LVLA
DFGin None 1 25.0% 1PMVA
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
AGC PDPK1 PDPK1_HUMAN 5LVLA O15530 74 359 556.0 537:401 Type1 Active DFGin 6.5959 14.602 BLAminus -130.64, -179.01 78.07, 78.29 -107.64, 5.9 287.24, 98.42 -64.3, -24.0 in-in in 8.2927 Saltbr-in 2.5582 HRD-in -74.44, -52.48 78.34, -12.89 in-in-in SNCiii in-in ActLoopNT-in 2.9059 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.91, 163.01 APE9-dihe-na 134.48, -168.83 APE8-dihe-in -131.23, 133.97 APE8-rot-in 296.05 APE67-dihe-in -61.17, -24.01 -50.83, -47.55 APE12-dist-in 7.3206 APE11-dist-in 10.4705 APE10-dist-in 4.8806 APE9-dist-in 3.5651 Y288G,Q292A SEP241 SEP241 XRAY 1.4 0.154 0.178 A 311.0 286.0 0 30 30 0 [[82, 342]] 1.0 5lvl AGC_PDPK1_HUMAN AGC 6.9e-84 286.9 1.0 260.0 260.0 222 223 224 226 228 111 130 134 202 204 203 205.0 264 252 247 246 245 244 243 242 241 160 3-phosphoinositide-dependent protein kinase 1
CMGC MAPK10 MK10_HUMAN 1PMVA P53779 45 400 464.0 537:501 Type1 Inactive DFGin 4.2247 14.7388 None -81.65, -103.82 -56.07, 179.4 -108.34, 6.78 292.4, 71.45 88.17, -161.99 out-out out 10.0434 Saltbr-out 5.5021 HRD-in -44.57, -73.88 76.33, -1.28 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioo APE10-dihe-na -55.4, 164.21 APE9-dihe-na -103.96, 46.79 APE8-dihe-in -57.98, 139.58 APE8-rot-in 313.89 APE67-dihe-in -60.79, -25.59 -166.19, 12.11 APE12-dist-out 19.3858 APE11-dist-in 13.7304 APE10-dist-out 15.5802 APE9-dist-out 12.2546 None None None XRAY 2.5 0.222 0.282 A 364.0 347.0 5 27 22 5 [[64, 359]] 1.0 1pmv CMGC_MAPK10_HUMAN CMGC 1.4e-85 293.1 1.0 301.0 301.0 206 207 208 210 212 93 111 115 186 188 187 189.0 245 233 228 227 226 225 224 223 222 147 Mitogen-activated protein kinase 10
CMGC MAPK8 MK08_HUMAN 1UKIA P45983 9 363 427.0 537:0 Type1 Inactive DFGin 4.7042 13.1142 ABAminus -77.11, -62.2 -116.68, -161.07 -126.7, 15.2 318.68, 71.9 41.91, -116.91 in-in in 9.1687 Saltbr-in 2.9158 HRD-in -66.76, -57.64 78.15, -46.3 in-out-out SNCioo out-out ActLoopNT-out 5.4563 ActLoopCT-out nonTYR APEdihe_aanio APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 77.25 APE8-rot-in 304.87 APE67-dihe-out -76.75, -17.12 155.56, -17.08 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.7 0.221 0.241 A 369.0 328.0 18 27 14 13 [[26, 321]] 1.0 1uki CMGC_MAPK8_HUMAN CMGC 8.3e-85 290.5 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 8
OTHER TTK TTK_HUMAN 2ZMDA P33981 516 795 857.0 537:900 Type1 Inactive DFGin 3.9529 15.1186 ABAminus -86.61, -39.79 -132.74, 164.92 -108.9, 8.43 306.24, 151.22 69.07, 16.45 out-out out 11.2826 Saltbr-out 6.7508 HRD-in -68.0, -56.19 74.76, 7.11 out-out-out SNCooo out-out ActLoopNT-out 10.4306 ActLoopCT-out nonTYR APEdihe_aaoni APEdist_oooo APE10-dihe-na -150.77, 128.69 APE9-dihe-na 166.18, -134.04 APE8-dihe-out 62.78, 28.8 APE8-rot-none 999.0 APE67-dihe-in -55.23, -33.98 -72.52, -20.32 APE12-dist-out 22.1515 APE11-dist-out 23.3484 APE10-dist-out 19.346 APE9-dist-out 12.2621 T686A None None XRAY 2.88 0.223 0.261 A 390.0 259.0 21 30 21 9 [[525, 791]] 1.0 2zmd OTHER_TTK_HUMAN CAMK 9e-53 185.2 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: 537

Total number of chains: 4
Active chains: 1
Total number of genes: 4
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 50.0% 1UKIA
DFGin BLAminus 1 25.0% 5LVLA
DFGin None 1 25.0% 1PMVA
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
AGC PDPK1 PDPK1_HUMAN 5LVLA O15530 74 359 556.0 537:401 Type1 Active DFGin 6.5959 14.602 BLAminus -130.64, -179.01 78.07, 78.29 -107.64, 5.9 287.24, 98.42 -64.3, -24.0 in-in in 8.2927 Saltbr-in 2.5582 HRD-in -74.44, -52.48 78.34, -12.89 in-in-in SNCiii in-in ActLoopNT-in 2.9059 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.91, 163.01 APE9-dihe-na 134.48, -168.83 APE8-dihe-in -131.23, 133.97 APE8-rot-in 296.05 APE67-dihe-in -61.17, -24.01 -50.83, -47.55 APE12-dist-in 7.3206 APE11-dist-in 10.4705 APE10-dist-in 4.8806 APE9-dist-in 3.5651 Y288G,Q292A SEP241 SEP241 XRAY 1.4 0.154 0.178 A 311.0 286.0 0 30 30 0 [[82, 342]] 1.0 5lvl Homo sapiens AGC_PDPK1_HUMAN AGC 6.9e-84 286.9 1.0 260.0 260.0 222 223 224 226 228 111 130 134 202 204 203 205.0 264 252 247 246 245 244 243 242 241 160 3-phosphoinositide-dependent protein kinase 1
CMGC MAPK10 MK10_HUMAN 1PMVA P53779 45 400 464.0 537:501 Type1 Inactive DFGin 4.2247 14.7388 None -81.65, -103.82 -56.07, 179.4 -108.34, 6.78 292.4, 71.45 88.17, -161.99 out-out out 10.0434 Saltbr-out 5.5021 HRD-in -44.57, -73.88 76.33, -1.28 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oioo APE10-dihe-na -55.4, 164.21 APE9-dihe-na -103.96, 46.79 APE8-dihe-in -57.98, 139.58 APE8-rot-in 313.89 APE67-dihe-in -60.79, -25.59 -166.19, 12.11 APE12-dist-out 19.3858 APE11-dist-in 13.7304 APE10-dist-out 15.5802 APE9-dist-out 12.2546 None None None XRAY 2.5 0.222 0.282 A 364.0 347.0 5 27 22 5 [[64, 359]] 1.0 1pmv Homo sapiens CMGC_MAPK10_HUMAN CMGC 1.4e-85 293.1 1.0 301.0 301.0 206 207 208 210 212 93 111 115 186 188 187 189.0 245 233 228 227 226 225 224 223 222 147 Mitogen-activated protein kinase 10
CMGC MAPK8 MK08_HUMAN 1UKIA P45983 9 363 427.0 537:0 Type1 Inactive DFGin 4.7042 13.1142 ABAminus -77.11, -62.2 -116.68, -161.07 -126.7, 15.2 318.68, 71.9 41.91, -116.91 in-in in 9.1687 Saltbr-in 2.9158 HRD-in -66.76, -57.64 78.15, -46.3 in-out-out SNCioo out-out ActLoopNT-out 5.4563 ActLoopCT-out nonTYR APEdihe_aanio APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, 77.25 APE8-rot-in 304.87 APE67-dihe-out -76.75, -17.12 155.56, -17.08 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.7 0.221 0.241 A 369.0 328.0 18 27 14 13 [[26, 321]] 1.0 1uki Homo sapiens CMGC_MAPK8_HUMAN CMGC 8.3e-85 290.5 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 8
OTHER TTK TTK_HUMAN 2ZMDA P33981 516 795 857.0 537:900 Type1 Inactive DFGin 3.9529 15.1186 ABAminus -86.61, -39.79 -132.74, 164.92 -108.9, 8.43 306.24, 151.22 69.07, 16.45 out-out out 11.2826 Saltbr-out 6.7508 HRD-in -68.0, -56.19 74.76, 7.11 out-out-out SNCooo out-out ActLoopNT-out 10.4306 ActLoopCT-out nonTYR APEdihe_aaoni APEdist_oooo APE10-dihe-na -150.77, 128.69 APE9-dihe-na 166.18, -134.04 APE8-dihe-out 62.78, 28.8 APE8-rot-none 999.0 APE67-dihe-in -55.23, -33.98 -72.52, -20.32 APE12-dist-out 22.1515 APE11-dist-out 23.3484 APE10-dist-out 19.346 APE9-dist-out 12.2621 T686A None None XRAY 2.88 0.223 0.261 A 390.0 259.0 21 30 21 9 [[525, 791]] 1.0 2zmd Homo sapiens OTHER_TTK_HUMAN CAMK 9e-53 185.2 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: 537

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