Ligand: 41B

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% 4XJ0A
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 4XJ0A P28482 12 360 360.0 41B:401 Type1 Inactive DFGin 6.9253 15.9026 BLAminus -128.72, 178.82 60.25, 84.81 -99.58, 30.32 286.89, 68.04 -63.8, -36.34 in-in in 9.338 Saltbr-in 2.8027 HRD-in -71.71, -51.71 75.23, -2.58 in-in-out SNCiio in-out ActLoopNT-in 2.8054 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_ioii APE10-dihe-na -96.68, -131.27 APE9-dihe-na -62.56, 169.56 APE8-dihe-in -72.46, 124.06 APE8-rot-in 293.95 APE67-dihe-in -61.54, -21.14 -31.5, -51.99 APE12-dist-in 8.838 APE11-dist-out 7.7911 APE10-dist-in 7.8669 APE9-dist-in 3.1529 None None NEP125 XRAY 2.58 0.21 0.244 A 349.0 346.0 1 31 31 0 [[25, 313]] 1.0 4xj0 CMGC_MAPK1_HUMAN CMGC 8.2e-86 293.9 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 4XJ0B P28482 12 357 360.0 41B:401 Type1 Inactive DFGin 6.897 15.908 BLAminus -132.79, 176.01 57.28, 85.46 -101.01, 27.5 284.74, 71.93 -64.54, -32.65 in-in in 9.016 Saltbr-in 2.7424 HRD-in -73.78, -49.99 71.73, 4.29 in-in-out SNCiio in-out ActLoopNT-in 2.7122 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_ioii APE10-dihe-na -89.81, -86.54 APE9-dihe-na -108.42, 172.18 APE8-dihe-in -68.23, 129.82 APE8-rot-in 294.66 APE67-dihe-in -55.14, -20.59 -34.58, -62.67 APE12-dist-in 8.6723 APE11-dist-out 7.6116 APE10-dist-in 7.8493 APE9-dist-in 3.3305 None None NEP125 XRAY 2.58 0.21 0.244 B 349.0 339.0 7 31 31 0 [[25, 313]] 1.0 4xj0 CMGC_MAPK1_HUMAN CMGC 8.2e-86 293.9 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: 41B

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% 4XJ0A
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 4XJ0A P28482 12 360 360.0 41B:401 Type1 Inactive DFGin 6.9253 15.9026 BLAminus -128.72, 178.82 60.25, 84.81 -99.58, 30.32 286.89, 68.04 -63.8, -36.34 in-in in 9.338 Saltbr-in 2.8027 HRD-in -71.71, -51.71 75.23, -2.58 in-in-out SNCiio in-out ActLoopNT-in 2.8054 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_ioii APE10-dihe-na -96.68, -131.27 APE9-dihe-na -62.56, 169.56 APE8-dihe-in -72.46, 124.06 APE8-rot-in 293.95 APE67-dihe-in -61.54, -21.14 -31.5, -51.99 APE12-dist-in 8.838 APE11-dist-out 7.7911 APE10-dist-in 7.8669 APE9-dist-in 3.1529 None None NEP125 XRAY 2.58 0.21 0.244 A 349.0 346.0 1 31 31 0 [[25, 313]] 1.0 4xj0 Homo sapiens CMGC_MAPK1_HUMAN CMGC 8.2e-86 293.9 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 4XJ0B P28482 12 357 360.0 41B:401 Type1 Inactive DFGin 6.897 15.908 BLAminus -132.79, 176.01 57.28, 85.46 -101.01, 27.5 284.74, 71.93 -64.54, -32.65 in-in in 9.016 Saltbr-in 2.7424 HRD-in -73.78, -49.99 71.73, 4.29 in-in-out SNCiio in-out ActLoopNT-in 2.7122 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_ioii APE10-dihe-na -89.81, -86.54 APE9-dihe-na -108.42, 172.18 APE8-dihe-in -68.23, 129.82 APE8-rot-in 294.66 APE67-dihe-in -55.14, -20.59 -34.58, -62.67 APE12-dist-in 8.6723 APE11-dist-out 7.6116 APE10-dist-in 7.8493 APE9-dist-in 3.3305 None None NEP125 XRAY 2.58 0.21 0.244 B 349.0 339.0 7 31 31 0 [[25, 313]] 1.0 4xj0 Homo sapiens CMGC_MAPK1_HUMAN CMGC 8.2e-86 293.9 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: 41B

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