Ligand: 36O

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4QP4A
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 MAPK1 MK01_HUMAN 4QP4A P28482 13 357 360.0 36O:401 Type1 Inactive DFGin 6.8241 15.938 BLAminus -125.3, 167.13 64.24, 90.48 -108.14, 22.59 286.42, 75.22 -64.25, -26.15 in-out in 8.9178 Saltbr-out 6.0785 HRD-in -71.48, -47.45 75.24, -9.93 out-in-out SNCoio in-out ActLoopNT-in 2.9796 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -129.97, 154.52 APE9-dihe-na -62.24, -33.02 APE8-dihe-in -154.8, 145.42 APE8-rot-out 182.51 APE67-dihe-in -65.24, -7.26 -115.09, 10.29 APE12-dist-in 9.2228 APE11-dist-in 12.394 APE10-dist-out 9.1008 APE9-dist-out 11.038 None None None XRAY 2.2 0.189 0.235 A 369.0 337.0 8 31 23 8 [[25, 313]] 1.0 4qp4 CMGC_MAPK1_HUMAN CMGC 1e-85 293.6 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
CMGC MAPK1 MK01_HUMAN 4QP4B P28482 12 357 360.0 36O:401 Type1 Inactive DFGin 6.9518 16.3408 BLAminus -131.86, 174.32 59.22, 89.07 -106.19, 23.73 288.41, 79.68 -67.52, -18.25 in-out in 9.2153 Saltbr-out 4.4894 HRD-in -76.21, -48.26 75.02, -6.33 out-in-out SNCoio in-out ActLoopNT-in 2.8132 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -122.9, 128.44 APE9-dihe-na -79.48, -89.06 APE8-dihe-in -75.04, 141.7 APE8-rot-in 317.37 APE67-dihe-in -69.0, -20.44 -124.09, -5.27 APE12-dist-in 9.1797 APE11-dist-in 12.4613 APE10-dist-out 11.2141 APE9-dist-out 10.244 None None None XRAY 2.2 0.189 0.235 B 369.0 335.0 11 31 20 11 [[25, 313]] 1.0 4qp4 CMGC_MAPK1_HUMAN CMGC 1e-85 293.6 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1

Ligand: 36O

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4QP4A
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 MAPK1 MK01_HUMAN 4QP4A P28482 13 357 360.0 36O:401 Type1 Inactive DFGin 6.8241 15.938 BLAminus -125.3, 167.13 64.24, 90.48 -108.14, 22.59 286.42, 75.22 -64.25, -26.15 in-out in 8.9178 Saltbr-out 6.0785 HRD-in -71.48, -47.45 75.24, -9.93 out-in-out SNCoio in-out ActLoopNT-in 2.9796 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -129.97, 154.52 APE9-dihe-na -62.24, -33.02 APE8-dihe-in -154.8, 145.42 APE8-rot-out 182.51 APE67-dihe-in -65.24, -7.26 -115.09, 10.29 APE12-dist-in 9.2228 APE11-dist-in 12.394 APE10-dist-out 9.1008 APE9-dist-out 11.038 None None None XRAY 2.2 0.189 0.235 A 369.0 337.0 8 31 23 8 [[25, 313]] 1.0 4qp4 Homo sapiens CMGC_MAPK1_HUMAN CMGC 1e-85 293.6 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1
CMGC MAPK1 MK01_HUMAN 4QP4B P28482 12 357 360.0 36O:401 Type1 Inactive DFGin 6.9518 16.3408 BLAminus -131.86, 174.32 59.22, 89.07 -106.19, 23.73 288.41, 79.68 -67.52, -18.25 in-out in 9.2153 Saltbr-out 4.4894 HRD-in -76.21, -48.26 75.02, -6.33 out-in-out SNCoio in-out ActLoopNT-in 2.8132 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -122.9, 128.44 APE9-dihe-na -79.48, -89.06 APE8-dihe-in -75.04, 141.7 APE8-rot-in 317.37 APE67-dihe-in -69.0, -20.44 -124.09, -5.27 APE12-dist-in 9.1797 APE11-dist-in 12.4613 APE10-dist-out 11.2141 APE9-dist-out 10.244 None None None XRAY 2.2 0.189 0.235 B 369.0 335.0 11 31 20 11 [[25, 313]] 1.0 4qp4 Homo sapiens CMGC_MAPK1_HUMAN CMGC 1e-85 293.6 1.0 301.0 301.0 166 167 168 170 172 54 71 75 146 148 147 149.0 210 197 192 191 190 189 188 187 186 106 Mitogen-activated protein kinase 1

Ligand: 36O

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