Ligand: 73Q

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 2G01A
DFGin None 1 50.0% 2G01B
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 2G01A P45983 10 364 427.0 73Q:60901 Type1 Active DFGin 5.9935 14.6114 BLAminus -138.21, 160.8 78.02, 123.65 -129.29, 5.43 293.89, 44.0 -38.65, -23.81 out-in out 10.3783 Saltbr-in 3.5583 HRD-in -86.8, -31.67 38.11, 34.11 in-in-in SNCiii in-in ActLoopNT-in 2.6571 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -146.24, -50.25 APE9-dihe-na -79.72, 72.99 APE8-dihe-in -7.98, 107.48 APE8-rot-in 347.58 APE67-dihe-in -48.8, -23.78 -62.13, -32.37 APE12-dist-in 12.1688 APE11-dist-in 12.9249 APE10-dist-in 7.5972 APE9-dist-in 4.5707 T183E,Y185E None None XRAY 3.5 0.296 0.354 A 370.0 355.0 0 27 27 0 [[26, 321]] 1.0 2g01 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 2G01B P45983 9 364 427.0 73Q:61001 Type1 Inactive DFGin 5.7329 14.7118 None -124.05, -159.93 70.3, -99.04 78.28, -8.58 269.85, 26.32 -60.64, -29.84 in-in in 9.3096 Saltbr-in 3.522 HRD-in -75.33, -51.61 81.6, -31.16 in-in-out SNCiio in-out ActLoopNT-in 3.0497 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -55.32, -77.05 APE9-dihe-na -50.72, 131.97 APE8-dihe-in -62.41, 127.97 APE8-rot-out 179.45 APE67-dihe-in -34.47, -20.37 -26.15, -85.34 APE12-dist-in 12.6428 APE11-dist-in 12.8438 APE10-dist-in 7.3262 APE9-dist-in 4.7568 T183E,Y185E None None XRAY 3.5 0.296 0.354 B 370.0 356.0 0 27 27 0 [[26, 321]] 1.0 2g01 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: 73Q

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 2G01A
DFGin None 1 50.0% 2G01B
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 2G01A P45983 10 364 427.0 73Q:60901 Type1 Active DFGin 5.9935 14.6114 BLAminus -138.21, 160.8 78.02, 123.65 -129.29, 5.43 293.89, 44.0 -38.65, -23.81 out-in out 10.3783 Saltbr-in 3.5583 HRD-in -86.8, -31.67 38.11, 34.11 in-in-in SNCiii in-in ActLoopNT-in 2.6571 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -146.24, -50.25 APE9-dihe-na -79.72, 72.99 APE8-dihe-in -7.98, 107.48 APE8-rot-in 347.58 APE67-dihe-in -48.8, -23.78 -62.13, -32.37 APE12-dist-in 12.1688 APE11-dist-in 12.9249 APE10-dist-in 7.5972 APE9-dist-in 4.5707 T183E,Y185E None None XRAY 3.5 0.296 0.354 A 370.0 355.0 0 27 27 0 [[26, 321]] 1.0 2g01 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 2G01B P45983 9 364 427.0 73Q:61001 Type1 Inactive DFGin 5.7329 14.7118 None -124.05, -159.93 70.3, -99.04 78.28, -8.58 269.85, 26.32 -60.64, -29.84 in-in in 9.3096 Saltbr-in 3.522 HRD-in -75.33, -51.61 81.6, -31.16 in-in-out SNCiio in-out ActLoopNT-in 3.0497 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -55.32, -77.05 APE9-dihe-na -50.72, 131.97 APE8-dihe-in -62.41, 127.97 APE8-rot-out 179.45 APE67-dihe-in -34.47, -20.37 -26.15, -85.34 APE12-dist-in 12.6428 APE11-dist-in 12.8438 APE10-dist-in 7.3262 APE9-dist-in 4.7568 T183E,Y185E None None XRAY 3.5 0.296 0.354 B 370.0 356.0 0 27 27 0 [[26, 321]] 1.0 2g01 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: 73Q

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