Ligand: 36Q

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% 4QP3A
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 4QP3A P28482 12 360 360.0 36Q:401 Type1 Inactive DFGin 6.8589 15.8504 BLAminus -127.22, -175.68 56.17, 83.19 -104.18, 33.87 282.73, 66.64 -69.96, -32.58 in-in in 9.4451 Saltbr-in 3.3006 HRD-in -82.76, -44.96 76.07, -9.05 in-in-out SNCiio in-out ActLoopNT-in 2.7052 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nioi APE10-dihe-na -121.34, 159.1 APE9-dihe-na -79.4, 177.88 APE8-dihe-in -61.83, 123.04 APE8-rot-in 305.81 APE67-dihe-in -62.86, -21.0 -53.45, -47.23 APE12-dist-none 999.0 APE11-dist-in 8.2622 APE10-dist-out 9.9697 APE9-dist-in 4.301 None None NEP125 XRAY 2.599 0.224 0.268 A 369.0 340.0 9 31 25 6 [[25, 313]] 1.0 4qp3 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 4QP3B P28482 12 357 360.0 36Q:401 Type1 Inactive DFGin 6.793 15.7599 BLAminus -126.47, -174.48 52.27, 87.61 -103.66, 26.42 284.37, 73.41 -63.65, -24.28 in-in in 9.6052 Saltbr-in 3.1992 HRD-in -81.82, -47.44 72.19, -4.98 in-in-out SNCiio in-out ActLoopNT-in 2.6859 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na 63.14, -151.19 APE9-dihe-na -73.19, 165.34 APE8-dihe-in -60.84, 129.71 APE8-rot-in 299.14 APE67-dihe-in -62.09, -19.8 -45.81, -49.44 APE12-dist-in 9.7944 APE11-dist-in 8.512 APE10-dist-out 8.3522 APE9-dist-in 3.4733 None None NEP125 XRAY 2.599 0.224 0.268 B 369.0 332.0 11 31 28 3 [[25, 313]] 1.0 4qp3 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: 36Q

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% 4QP3A
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 4QP3A P28482 12 360 360.0 36Q:401 Type1 Inactive DFGin 6.8589 15.8504 BLAminus -127.22, -175.68 56.17, 83.19 -104.18, 33.87 282.73, 66.64 -69.96, -32.58 in-in in 9.4451 Saltbr-in 3.3006 HRD-in -82.76, -44.96 76.07, -9.05 in-in-out SNCiio in-out ActLoopNT-in 2.7052 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nioi APE10-dihe-na -121.34, 159.1 APE9-dihe-na -79.4, 177.88 APE8-dihe-in -61.83, 123.04 APE8-rot-in 305.81 APE67-dihe-in -62.86, -21.0 -53.45, -47.23 APE12-dist-none 999.0 APE11-dist-in 8.2622 APE10-dist-out 9.9697 APE9-dist-in 4.301 None None NEP125 XRAY 2.599 0.224 0.268 A 369.0 340.0 9 31 25 6 [[25, 313]] 1.0 4qp3 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 4QP3B P28482 12 357 360.0 36Q:401 Type1 Inactive DFGin 6.793 15.7599 BLAminus -126.47, -174.48 52.27, 87.61 -103.66, 26.42 284.37, 73.41 -63.65, -24.28 in-in in 9.6052 Saltbr-in 3.1992 HRD-in -81.82, -47.44 72.19, -4.98 in-in-out SNCiio in-out ActLoopNT-in 2.6859 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_iioi APE10-dihe-na 63.14, -151.19 APE9-dihe-na -73.19, 165.34 APE8-dihe-in -60.84, 129.71 APE8-rot-in 299.14 APE67-dihe-in -62.09, -19.8 -45.81, -49.44 APE12-dist-in 9.7944 APE11-dist-in 8.512 APE10-dist-out 8.3522 APE9-dist-in 3.4733 None None NEP125 XRAY 2.599 0.224 0.268 B 369.0 332.0 11 31 28 3 [[25, 313]] 1.0 4qp3 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: 36Q

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