Ligand: 469 (Talmapimod)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 1 50.0% 3HUBA
None None 1 50.0% 3ZSHA
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 MAPK14 MK14_HUMAN 3HUBA Q16539 4 352 360.0 469:361 Type1 Inactive DFGin 4.731 13.4735 BLAplus -114.99, 158.58 74.87, 37.1 -91.08, 94.47 28.89, 89.39 148.41, 999.0 in-in in 9.1217 Saltbr-in 2.8735 HRD-in -63.44, -55.08 80.73, -16.58 in-none-out SNCino 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, -160.94 APE8-rot-out 184.21 APE67-dihe-in -64.8, -19.64 -104.95, -3.64 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C119S,C162S,A172C,F327L None None XRAY 2.25 0.217 0.292 A 360.0 335.0 14 25 11 14 [[24, 308]] 1.0 3hub CMGC_MAPK14_HUMAN CMGC 4.4e-84 288.3 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 3ZSHA Q16539 4 352 360.0 469:400 Type1 Inactive None 999.0 999.0 None -106.18, 148.72 85.75, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 in-in in 9.0607 Saltbr-in 3.2922 HRD-in -65.73, -56.19 85.19, -16.33 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -63.62 APE8-dihe-out -49.73, -55.3 APE8-rot-out 72.73 APE67-dihe-in -63.94, -22.31 -77.97, -13.84 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.0841 None None None XRAY 2.05 0.208 0.255 A 362.0 331.0 15 25 10 15 [[24, 308]] 1.0 3zsh CMGC_MAPK14_HUMAN CMGC 6e-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: 469 (Talmapimod)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAplus 1 50.0% 3HUBA
None None 1 50.0% 3ZSHA
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 MAPK14 MK14_HUMAN 3HUBA Q16539 4 352 360.0 469:361 Type1 Inactive DFGin 4.731 13.4735 BLAplus -114.99, 158.58 74.87, 37.1 -91.08, 94.47 28.89, 89.39 148.41, 999.0 in-in in 9.1217 Saltbr-in 2.8735 HRD-in -63.44, -55.08 80.73, -16.58 in-none-out SNCino 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, -160.94 APE8-rot-out 184.21 APE67-dihe-in -64.8, -19.64 -104.95, -3.64 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C119S,C162S,A172C,F327L None None XRAY 2.25 0.217 0.292 A 360.0 335.0 14 25 11 14 [[24, 308]] 1.0 3hub Homo sapiens CMGC_MAPK14_HUMAN CMGC 4.4e-84 288.3 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 3ZSHA Q16539 4 352 360.0 469:400 Type1 Inactive None 999.0 999.0 None -106.18, 148.72 85.75, 999.0 999.0, 999.0 999.0, 999.0 999.0, 999.0 in-in in 9.0607 Saltbr-in 3.2922 HRD-in -65.73, -56.19 85.19, -16.33 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -63.62 APE8-dihe-out -49.73, -55.3 APE8-rot-out 72.73 APE67-dihe-in -63.94, -22.31 -77.97, -13.84 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 13.0841 None None None XRAY 2.05 0.208 0.255 A 362.0 331.0 15 25 10 15 [[24, 308]] 1.0 3zsh Homo sapiens CMGC_MAPK14_HUMAN CMGC 6e-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: 469 (Talmapimod)

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