Ligand: 42A

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 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

Ligand: 42A

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% 4XP0A
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 4XP0A P63086 8 354 358.0 42A:404 Type1 Inactive DFGin 6.729 16.2799 BLAminus -130.85, 176.51 63.35, 87.23 -102.6, 23.78 288.28, 72.28 -57.91, -29.87 in-in in 9.8815 Saltbr-in 3.1124 HRD-in -74.37, -48.16 71.1, 5.03 in-in-out SNCiio in-out ActLoopNT-in 2.8019 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -100.65, -35.97 APE9-dihe-na -59.06, 154.53 APE8-dihe-in -49.14, 125.19 APE8-rot-in 314.16 APE67-dihe-in -59.44, -18.13 -55.5, -50.72 APE12-dist-out 14.5012 APE11-dist-in 11.2264 APE10-dist-in 7.3188 APE9-dist-in 4.2465 None None CME125,CME159,CME164,CME252 XRAY 1.46 0.192 0.214 A 351.0 340.0 0 31 31 0 [[23, 311]] 1.0 4xp0 Rattus norvegicus CMGC_MAPK1_RAT CMGC 1.2e-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
CMGC MAPK1 MK01_RAT 4XRLA P63086 9 353 358.0 42A:402 Type1 Inactive DFGin 7.0316 16.4285 BLAminus -137.37, 172.94 64.21, 83.48 -101.2, 28.73 286.34, 64.33 -56.83, -41.4 out-in out 10.395 Saltbr-in 2.905 HRD-in -74.03, -50.49 73.87, 0.12 in-in-out SNCiio in-out ActLoopNT-in 2.8704 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na 75.98, -50.6 APE9-dihe-na -70.82, 161.2 APE8-dihe-in -60.45, 124.5 APE8-rot-in 303.76 APE67-dihe-in -59.6, -25.0 -51.49, -45.85 APE12-dist-out 14.4346 APE11-dist-in 11.7996 APE10-dist-in 7.3873 APE9-dist-in 4.1646 None None CME159 XRAY 2.554 0.162 0.229 A 345.0 338.0 0 31 31 0 [[23, 311]] 1.0 4xrl Rattus norvegicus CMGC_MAPK1_RAT CMGC 1.3e-84 290.0 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: 42A

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% 4XP0A
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 4XP0A P63086 8 354 358.0 42A:404 Type1 Inactive DFGin 6.729 16.2799 BLAminus -130.85, 176.51 63.35, 87.23 -102.6, 23.78 288.28, 72.28 -57.91, -29.87 in-in in 9.8815 Saltbr-in 3.1124 HRD-in -74.37, -48.16 71.1, 5.03 in-in-out SNCiio in-out ActLoopNT-in 2.8019 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na -100.65, -35.97 APE9-dihe-na -59.06, 154.53 APE8-dihe-in -49.14, 125.19 APE8-rot-in 314.16 APE67-dihe-in -59.44, -18.13 -55.5, -50.72 APE12-dist-out 14.5012 APE11-dist-in 11.2264 APE10-dist-in 7.3188 APE9-dist-in 4.2465 None None CME125,CME159,CME164,CME252 XRAY 1.46 0.192 0.214 A 351.0 340.0 0 31 31 0 [[23, 311]] 1.0 4xp0 Rattus norvegicus CMGC_MAPK1_RAT CMGC 1.2e-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
CMGC MAPK1 MK01_RAT 4XRLA P63086 9 353 358.0 42A:402 Type1 Inactive DFGin 7.0316 16.4285 BLAminus -137.37, 172.94 64.21, 83.48 -101.2, 28.73 286.34, 64.33 -56.83, -41.4 out-in out 10.395 Saltbr-in 2.905 HRD-in -74.03, -50.49 73.87, 0.12 in-in-out SNCiio in-out ActLoopNT-in 2.8704 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_oiii APE10-dihe-na 75.98, -50.6 APE9-dihe-na -70.82, 161.2 APE8-dihe-in -60.45, 124.5 APE8-rot-in 303.76 APE67-dihe-in -59.6, -25.0 -51.49, -45.85 APE12-dist-out 14.4346 APE11-dist-in 11.7996 APE10-dist-in 7.3873 APE9-dist-in 4.1646 None None CME159 XRAY 2.554 0.162 0.229 A 345.0 338.0 0 31 31 0 [[23, 311]] 1.0 4xrl Rattus norvegicus CMGC_MAPK1_RAT CMGC 1.3e-84 290.0 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