Ligand: AQZ

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 66.7% 2BAKA
DFGin BLAminus 1 33.3% 9BJCA
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
CMGC CDK2 CDK2_HUMAN 9BJCA P24941 1 296 298.0 A1AQZ:60301 Type1 Active DFGin 6.787 15.5177 BLAminus -136.33, 173.64 59.65, 68.84 -84.15, 16.43 278.49, 68.94 -62.9, -29.29 in-in in 8.6945 Saltbr-in 3.0298 HRD-in -78.76, -53.42 71.16, 13.59 in-in-in SNCiii in-in ActLoopNT-in 2.8916 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -113.37, 170.37 APE9-dihe-na 67.43, 132.76 APE8-dihe-in -52.27, 139.93 APE8-rot-in 314.84 APE67-dihe-in -57.09, -23.14 -56.38, -42.51 APE12-dist-in 13.2711 APE11-dist-in 11.6432 APE10-dist-in 6.9063 APE9-dist-in 3.112 None TPO160 TPO160 XRAY 2.22 0.195 0.213 A 299.0 296.0 0 28 28 0 [[4, 286]] 1.0 9bjc CMGC_CDK2_HUMAN CMGC 6.4e-90 307.8 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC MAPK14 MK14_HUMAN 2BAKA Q16539 5 353 360.0 AQZ:401 Type2 Inactive DFGout 14.0717 11.4156 BBAminus -143.45, -169.82 -148.04, 89.96 -71.5, -10.34 301.49, 112.56 74.77, 999.0 in-in in 9.3031 Saltbr-in 2.7314 HRD-in -70.02, -52.87 74.17, -13.18 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 100.58 APE9-dihe-na -65.01, 135.39 APE8-dihe-out -56.44, -41.69 APE8-rot-in 273.92 APE67-dihe-in -57.73, -27.0 -56.68, -27.93 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.1896 None None None XRAY 2.2 0.22 0.25 A 365.0 334.0 15 25 13 12 [[24, 308]] 1.0 2bak CMGC_MAPK14_HUMAN CMGC 6.2e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 4A9YA Q16539 5 353 360.0 AQZ:1354 Type2 Inactive DFGout 14.0717 11.4156 BBAminus -143.45, -169.82 -148.04, 89.96 -71.5, -10.34 301.49, 112.96 74.77, 999.0 in-in in 9.3031 Saltbr-in 2.7314 HRD-in -70.02, -52.87 74.17, -13.18 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 100.58 APE9-dihe-na -65.01, 135.39 APE8-dihe-out -56.44, -41.69 APE8-rot-in 273.92 APE67-dihe-in -57.73, -27.0 -56.68, -27.93 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.1896 None None None XRAY 2.2 0.22 0.25 A 365.0 334.0 15 25 13 12 [[24, 308]] 1.0 4a9y CMGC_MAPK14_HUMAN CMGC 6.2e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14

Ligand: AQZ

Total number of chains: 3
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 2 66.7% 2BAKA
DFGin BLAminus 1 33.3% 9BJCA
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
CMGC CDK2 CDK2_HUMAN 9BJCA P24941 1 296 298.0 A1AQZ:60301 Type1 Active DFGin 6.787 15.5177 BLAminus -136.33, 173.64 59.65, 68.84 -84.15, 16.43 278.49, 68.94 -62.9, -29.29 in-in in 8.6945 Saltbr-in 3.0298 HRD-in -78.76, -53.42 71.16, 13.59 in-in-in SNCiii in-in ActLoopNT-in 2.8916 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -113.37, 170.37 APE9-dihe-na 67.43, 132.76 APE8-dihe-in -52.27, 139.93 APE8-rot-in 314.84 APE67-dihe-in -57.09, -23.14 -56.38, -42.51 APE12-dist-in 13.2711 APE11-dist-in 11.6432 APE10-dist-in 6.9063 APE9-dist-in 3.112 None TPO160 TPO160 XRAY 2.22 0.195 0.213 A 299.0 296.0 0 28 28 0 [[4, 286]] 1.0 9bjc Homo sapiens CMGC_CDK2_HUMAN CMGC 6.4e-90 307.8 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC MAPK14 MK14_HUMAN 2BAKA Q16539 5 353 360.0 AQZ:401 Type2 Inactive DFGout 14.0717 11.4156 BBAminus -143.45, -169.82 -148.04, 89.96 -71.5, -10.34 301.49, 112.56 74.77, 999.0 in-in in 9.3031 Saltbr-in 2.7314 HRD-in -70.02, -52.87 74.17, -13.18 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 100.58 APE9-dihe-na -65.01, 135.39 APE8-dihe-out -56.44, -41.69 APE8-rot-in 273.92 APE67-dihe-in -57.73, -27.0 -56.68, -27.93 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.1896 None None None XRAY 2.2 0.22 0.25 A 365.0 334.0 15 25 13 12 [[24, 308]] 1.0 2bak Homo sapiens CMGC_MAPK14_HUMAN CMGC 6.2e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14
CMGC MAPK14 MK14_HUMAN 4A9YA Q16539 5 353 360.0 AQZ:1354 Type2 Inactive DFGout 14.0717 11.4156 BBAminus -143.45, -169.82 -148.04, 89.96 -71.5, -10.34 301.49, 112.96 74.77, 999.0 in-in in 9.3031 Saltbr-in 2.7314 HRD-in -70.02, -52.87 74.17, -13.18 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_nnno APE10-dihe-na 999.0, 100.58 APE9-dihe-na -65.01, 135.39 APE8-dihe-out -56.44, -41.69 APE8-rot-in 273.92 APE67-dihe-in -57.73, -27.0 -56.68, -27.93 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.1896 None None None XRAY 2.2 0.22 0.25 A 365.0 334.0 15 25 13 12 [[24, 308]] 1.0 4a9y Homo sapiens CMGC_MAPK14_HUMAN CMGC 6.2e-85 291.1 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14

Ligand: AQZ

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