Ligand: 362

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% 4QP8B
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 4QP8A P28482 12 357 360.0 362:401 Type1 Inactive DFGin 7.1206 16.0234 BLAminus -138.97, 178.67 58.83, 81.69 -100.67, 28.37 284.73, 74.19 -64.65, -23.89 in-in in 9.1643 Saltbr-in 2.4899 HRD-in -76.49, -45.63 73.25, -7.2 in-in-out SNCiio in-out ActLoopNT-in 2.6578 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -115.06, 140.25 APE9-dihe-na -81.99, -90.41 APE8-dihe-in -85.54, 134.34 APE8-rot-in 298.33 APE67-dihe-in -61.64, -19.92 -107.69, -3.1 APE12-dist-in 9.7117 APE11-dist-in 12.1893 APE10-dist-out 11.013 APE9-dist-out 10.0751 None None None XRAY 2.446 0.206 0.249 A 369.0 335.0 11 31 20 11 [[25, 313]] 1.0 4qp8 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 4QP8B P28482 13 357 360.0 362:401 Type1 Inactive DFGin 6.976 15.4619 BLAminus -132.6, -178.43 57.44, 85.0 -105.8, 25.19 285.22, 65.23 -60.86, -34.2 in-in in 8.8253 Saltbr-in 3.0801 HRD-in -81.03, -47.24 74.23, -7.22 in-in-out SNCiio in-out ActLoopNT-in 2.841 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -127.99, 150.46 APE9-dihe-na -61.94, -34.3 APE8-dihe-in -151.1, 145.37 APE8-rot-out 182.62 APE67-dihe-in -74.4, -5.5 -115.62, 16.65 APE12-dist-in 9.3382 APE11-dist-in 12.306 APE10-dist-out 9.2112 APE9-dist-out 10.8388 None None None XRAY 2.446 0.206 0.249 B 369.0 337.0 8 31 23 8 [[25, 313]] 1.0 4qp8 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: 362

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% 4QP8B
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 4QP8A P28482 12 357 360.0 362:401 Type1 Inactive DFGin 7.1206 16.0234 BLAminus -138.97, 178.67 58.83, 81.69 -100.67, 28.37 284.73, 74.19 -64.65, -23.89 in-in in 9.1643 Saltbr-in 2.4899 HRD-in -76.49, -45.63 73.25, -7.2 in-in-out SNCiio in-out ActLoopNT-in 2.6578 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioo APE10-dihe-na -115.06, 140.25 APE9-dihe-na -81.99, -90.41 APE8-dihe-in -85.54, 134.34 APE8-rot-in 298.33 APE67-dihe-in -61.64, -19.92 -107.69, -3.1 APE12-dist-in 9.7117 APE11-dist-in 12.1893 APE10-dist-out 11.013 APE9-dist-out 10.0751 None None None XRAY 2.446 0.206 0.249 A 369.0 335.0 11 31 20 11 [[25, 313]] 1.0 4qp8 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 4QP8B P28482 13 357 360.0 362:401 Type1 Inactive DFGin 6.976 15.4619 BLAminus -132.6, -178.43 57.44, 85.0 -105.8, 25.19 285.22, 65.23 -60.86, -34.2 in-in in 8.8253 Saltbr-in 3.0801 HRD-in -81.03, -47.24 74.23, -7.22 in-in-out SNCiio in-out ActLoopNT-in 2.841 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -127.99, 150.46 APE9-dihe-na -61.94, -34.3 APE8-dihe-in -151.1, 145.37 APE8-rot-out 182.62 APE67-dihe-in -74.4, -5.5 -115.62, 16.65 APE12-dist-in 9.3382 APE11-dist-in 12.306 APE10-dist-out 9.2112 APE9-dist-out 10.8388 None None None XRAY 2.446 0.206 0.249 B 369.0 337.0 8 31 23 8 [[25, 313]] 1.0 4qp8 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: 362

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