Ligand: 390

Total number of chains: 1
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 4QTEA
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 4QTEA P28482 11 358 360.0 390:430 Type1 Active DFGin 6.9092 15.0118 BLAminus -128.11, 177.87 65.48, 81.01 -97.8, 24.52 281.71, 68.7 -63.45, -27.47 in-in in 9.4461 Saltbr-in 2.8495 HRD-in -77.98, -52.32 76.82, 3.18 in-in-in SNCiii in-in ActLoopNT-in 2.7899 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.78, -31.85 APE9-dihe-na -67.91, 159.3 APE8-dihe-in -56.84, 129.56 APE8-rot-in 308.17 APE67-dihe-in -65.89, -13.13 -51.33, -50.7 APE12-dist-in 13.9805 APE11-dist-in 11.0006 APE10-dist-in 7.1835 APE9-dist-in 4.3781 None None None XRAY 1.5 0.147 0.167 A 361.0 348.0 0 31 31 0 [[25, 313]] 1.0 4qte CMGC_MAPK1_HUMAN CMGC 9.2e-86 293.7 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: 390

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 4QTEA
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 4QTEA P28482 11 358 360.0 390:430 Type1 Active DFGin 6.9092 15.0118 BLAminus -128.11, 177.87 65.48, 81.01 -97.8, 24.52 281.71, 68.7 -63.45, -27.47 in-in in 9.4461 Saltbr-in 2.8495 HRD-in -77.98, -52.32 76.82, 3.18 in-in-in SNCiii in-in ActLoopNT-in 2.7899 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.78, -31.85 APE9-dihe-na -67.91, 159.3 APE8-dihe-in -56.84, 129.56 APE8-rot-in 308.17 APE67-dihe-in -65.89, -13.13 -51.33, -50.7 APE12-dist-in 13.9805 APE11-dist-in 11.0006 APE10-dist-in 7.1835 APE9-dist-in 4.3781 None None None XRAY 1.5 0.147 0.167 A 361.0 348.0 0 31 31 0 [[25, 313]] 1.0 4qte Homo sapiens CMGC_MAPK1_HUMAN CMGC 9.2e-86 293.7 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_RAT 6OPKA P63086 9 354 358.0 390:401 Type1 Active DFGin 6.6542 14.7552 BLAminus -124.25, -173.22 49.18, 87.88 -102.56, 22.49 282.63, 69.81 -58.83, -33.74 in-in in 9.2501 Saltbr-in 2.6489 HRD-in -78.1, -60.74 80.93, 7.16 in-in-in SNCiii in-in ActLoopNT-in 2.9386 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -91.49, 173.12 APE9-dihe-na 65.2, 169.84 APE8-dihe-in -91.59, 138.21 APE8-rot-in 292.7 APE67-dihe-in -63.57, -14.22 -44.54, -55.14 APE12-dist-in 12.7505 APE11-dist-in 11.1804 APE10-dist-in 6.8439 APE9-dist-in 2.9753 None TPO183,PTR185 TPO183,PTR185 XRAY 2.54 0.196 0.241 A 352.0 346.0 0 31 31 0 [[23, 311]] 1.0 6opk Rattus norvegicus CMGC_MAPK1_RAT CMGC 1.3e-85 293.3 1.0 301.0 301.0 164 165 166 168 170 52 69 73 144 146 145 147.0 208 195 190 189 188 187 186 185 184 104 Mitogen-activated protein kinase 1

Ligand: 390

Total number of chains: 1
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 6OPKA
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_RAT 6OPKA P63086 9 354 358.0 390:401 Type1 Active DFGin 6.6542 14.7552 BLAminus -124.25, -173.22 49.18, 87.88 -102.56, 22.49 282.63, 69.81 -58.83, -33.74 in-in in 9.2501 Saltbr-in 2.6489 HRD-in -78.1, -60.74 80.93, 7.16 in-in-in SNCiii in-in ActLoopNT-in 2.9386 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -91.49, 173.12 APE9-dihe-na 65.2, 169.84 APE8-dihe-in -91.59, 138.21 APE8-rot-in 292.7 APE67-dihe-in -63.57, -14.22 -44.54, -55.14 APE12-dist-in 12.7505 APE11-dist-in 11.1804 APE10-dist-in 6.8439 APE9-dist-in 2.9753 None TPO183,PTR185 TPO183,PTR185 XRAY 2.54 0.196 0.241 A 352.0 346.0 0 31 31 0 [[23, 311]] 1.0 6opk Rattus norvegicus CMGC_MAPK1_RAT CMGC 1.3e-85 293.3 1.0 301.0 301.0 164 165 166 168 170 52 69 73 144 146 145 147.0 208 195 190 189 188 187 186 185 184 104 Mitogen-activated protein kinase 1