Ligand: 52P (Neflamapimod)

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 3 100.0% 3FC1X
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 3ZSIA Q16539 6 352 360.0 52P:1000 Type1 Inactive DFGin 10.4689 12.2756 None -99.24, 157.46 -83.12, -44.9 -141.74, 118.5 319.2, 96.5 -93.21, -169.85 in-in in 8.8878 Saltbr-in 3.0614 HRD-in -68.1, -49.59 77.07, -12.99 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -47.82 APE8-rot-in 291.48 APE67-dihe-in -55.25, -30.12 -56.65, -32.66 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.4 0.234 0.271 A 362.0 326.0 21 25 12 13 [[24, 308]] 1.0 3zsi 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
CMGC MAPK14 MK14_HUMAN 3FC1X Q16539 5 353 360.0 52P:362 Type1 Inactive DFGin 7.1239 15.1868 None -126.14, -173.97 53.21, -144.46 158.6, 119.78 279.97, 109.61 999.0, 999.0 in-in in 9.0296 Saltbr-in 2.6197 HRD-in -59.7, -53.23 81.3, -16.26 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na -128.32, 135.87 APE9-dihe-na -60.12, -21.5 APE8-dihe-out -62.23, -25.4 APE8-rot-out 50.45 APE67-dihe-in -63.14, -19.02 -109.22, -16.35 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.2558 None None None XRAY 2.4 0.204 0.251 X 366.0 334.0 13 25 17 8 [[24, 308]] 1.0 3fc1 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 3HP5A Q16539 6 352 360.0 52P:401,I46:402,I46:403 Type1,Allosteric,Allosteric Inactive DFGin 6.4998 14.3567 None -122.62, 154.65 81.43, 43.95 -64.35, -69.27 340.23, 142.83 -47.68, 999.0 in-in in 8.692 Saltbr-in 3.0371 HRD-in -62.14, -57.25 84.4, -19.04 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoni APEdist_nnno APE10-dihe-na 999.0, -175.23 APE9-dihe-na -178.51, 127.74 APE8-dihe-out -56.55, -39.12 APE8-rot-none 999.0 APE67-dihe-in -64.7, -27.21 -46.07, -42.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.3903 None None None XRAY 2.3 0.217 0.262 A 360.0 330.0 17 25 13 12 [[24, 308]] 1.0 3hp5 CMGC_MAPK14_HUMAN CMGC 5.9e-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: 52P (Neflamapimod)

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin None 3 100.0% 3FC1X
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 3ZSIA Q16539 6 352 360.0 52P:1000 Type1 Inactive DFGin 10.4689 12.2756 None -99.24, 157.46 -83.12, -44.9 -141.74, 118.5 319.2, 96.5 -93.21, -169.85 in-in in 8.8878 Saltbr-in 3.0614 HRD-in -68.1, -49.59 77.07, -12.99 in-none-none SNCinn none-none ActLoopNT-none 999.0 ActLoopCT-none nonTYR APEdihe_aanii APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -47.82 APE8-rot-in 291.48 APE67-dihe-in -55.25, -30.12 -56.65, -32.66 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 None None None XRAY 2.4 0.234 0.271 A 362.0 326.0 21 25 12 13 [[24, 308]] 1.0 3zsi 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
CMGC MAPK14 MK14_HUMAN 3FC1X Q16539 5 353 360.0 52P:362 Type1 Inactive DFGin 7.1239 15.1868 None -126.14, -173.97 53.21, -144.46 158.6, 119.78 279.97, 109.61 999.0, 999.0 in-in in 9.0296 Saltbr-in 2.6197 HRD-in -59.7, -53.23 81.3, -16.26 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na -128.32, 135.87 APE9-dihe-na -60.12, -21.5 APE8-dihe-out -62.23, -25.4 APE8-rot-out 50.45 APE67-dihe-in -63.14, -19.02 -109.22, -16.35 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.2558 None None None XRAY 2.4 0.204 0.251 X 366.0 334.0 13 25 17 8 [[24, 308]] 1.0 3fc1 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 3HP5A Q16539 6 352 360.0 52P:401,I46:402,I46:403 Type1,Allosteric,Allosteric Inactive DFGin 6.4998 14.3567 None -122.62, 154.65 81.43, 43.95 -64.35, -69.27 340.23, 142.83 -47.68, 999.0 in-in in 8.692 Saltbr-in 3.0371 HRD-in -62.14, -57.25 84.4, -19.04 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaoni APEdist_nnno APE10-dihe-na 999.0, -175.23 APE9-dihe-na -178.51, 127.74 APE8-dihe-out -56.55, -39.12 APE8-rot-none 999.0 APE67-dihe-in -64.7, -27.21 -46.07, -42.48 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.3903 None None None XRAY 2.3 0.217 0.262 A 360.0 330.0 17 25 13 12 [[24, 308]] 1.0 3hp5 Homo sapiens CMGC_MAPK14_HUMAN CMGC 5.9e-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: 52P (Neflamapimod)

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