Ligand: 877

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 2GMXA
DFGin None 1 50.0% 2GMXB
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 MAPK8 MK08_HUMAN 2GMXA P45983 8 364 427.0 877:60901 Type1 Inactive DFGin 6.4145 15.103 BLAminus -169.49, -165.44 17.67, 94.27 -93.05, 32.73 281.95, 52.09 -74.74, -22.92 in-in in 9.2457 Saltbr-in 3.4507 HRD-in -84.23, -59.06 73.39, 47.64 in-in-out SNCiio in-out ActLoopNT-in 2.7327 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -71.92, -33.15 APE9-dihe-na -81.6, 112.65 APE8-dihe-in -25.7, 132.77 APE8-rot-out 32.67 APE67-dihe-in -46.1, -17.73 -58.05, -70.61 APE12-dist-in 10.542 APE11-dist-in 13.1827 APE10-dist-in 7.8512 APE9-dist-in 4.9448 T183E,Y185E None None XRAY 3.5 0.278 0.351 A 370.0 357.0 0 27 27 0 [[26, 321]] 1.0 2gmx CMGC_MAPK8_HUMAN CMGC 2.6e-83 285.6 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 8
CMGC MAPK8 MK08_HUMAN 2GMXB P45983 7 364 427.0 877:61001 Type1 Inactive DFGin 5.6113 13.9429 None -106.95, -175.57 54.48, -113.25 110.31, -6.6 279.44, 165.75 -41.3, -39.48 in-out in 8.4562 Saltbr-out 4.4993 HRD-in -77.53, -48.43 77.05, -21.57 out-in-in SNCoii in-in ActLoopNT-in 2.8017 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -70.75, -77.84 APE9-dihe-na -45.43, 98.08 APE8-dihe-in -37.04, 123.81 APE8-rot-in 354.32 APE67-dihe-in -25.17, -38.2 -26.5, -90.08 APE12-dist-in 11.7738 APE11-dist-in 12.5874 APE10-dist-in 7.2474 APE9-dist-in 4.4727 T183E,Y185E None None XRAY 3.5 0.278 0.351 B 370.0 358.0 0 27 27 0 [[26, 321]] 1.0 2gmx CMGC_MAPK8_HUMAN CMGC 2.6e-83 285.6 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 8

Ligand: 877

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 2GMXA
DFGin None 1 50.0% 2GMXB
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 MAPK8 MK08_HUMAN 2GMXA P45983 8 364 427.0 877:60901 Type1 Inactive DFGin 6.4145 15.103 BLAminus -169.49, -165.44 17.67, 94.27 -93.05, 32.73 281.95, 52.09 -74.74, -22.92 in-in in 9.2457 Saltbr-in 3.4507 HRD-in -84.23, -59.06 73.39, 47.64 in-in-out SNCiio in-out ActLoopNT-in 2.7327 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -71.92, -33.15 APE9-dihe-na -81.6, 112.65 APE8-dihe-in -25.7, 132.77 APE8-rot-out 32.67 APE67-dihe-in -46.1, -17.73 -58.05, -70.61 APE12-dist-in 10.542 APE11-dist-in 13.1827 APE10-dist-in 7.8512 APE9-dist-in 4.9448 T183E,Y185E None None XRAY 3.5 0.278 0.351 A 370.0 357.0 0 27 27 0 [[26, 321]] 1.0 2gmx Homo sapiens CMGC_MAPK8_HUMAN CMGC 2.6e-83 285.6 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 8
CMGC MAPK8 MK08_HUMAN 2GMXB P45983 7 364 427.0 877:61001 Type1 Inactive DFGin 5.6113 13.9429 None -106.95, -175.57 54.48, -113.25 110.31, -6.6 279.44, 165.75 -41.3, -39.48 in-out in 8.4562 Saltbr-out 4.4993 HRD-in -77.53, -48.43 77.05, -21.57 out-in-in SNCoii in-in ActLoopNT-in 2.8017 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -70.75, -77.84 APE9-dihe-na -45.43, 98.08 APE8-dihe-in -37.04, 123.81 APE8-rot-in 354.32 APE67-dihe-in -25.17, -38.2 -26.5, -90.08 APE12-dist-in 11.7738 APE11-dist-in 12.5874 APE10-dist-in 7.2474 APE9-dist-in 4.4727 T183E,Y185E None None XRAY 3.5 0.278 0.351 B 370.0 358.0 0 27 27 0 [[26, 321]] 1.0 2gmx Homo sapiens CMGC_MAPK8_HUMAN CMGC 2.6e-83 285.6 1.0 301.0 301.0 168 169 170 172 174 55 73 77 148 150 149 151.0 207 195 190 189 188 187 186 185 184 109 Mitogen-activated protein kinase 8

Ligand: 877

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