Ligand: 35F

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 3E7OA
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 MAPK9 MK09_HUMAN 3E7OA P45984 9 361 424.0 35F:1 Type1 Inactive DFGin 4.2658 14.5259 ABAminus -84.35, -29.35 -149.55, 177.24 -106.27, 9.79 301.22, 95.14 60.95, -143.01 in-in in 9.4394 Saltbr-in 2.6864 HRD-in -64.97, -51.12 67.58, -6.1 in-out-out SNCioo out-out ActLoopNT-out 5.5191 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -84.71, -45.82 APE9-dihe-na -76.84, -178.43 APE8-dihe-in -88.6, 137.99 APE8-rot-in 266.04 APE67-dihe-out -72.72, -13.34 -138.1, 64.96 APE12-dist-out 20.2903 APE11-dist-out 15.6856 APE10-dist-out 19.3278 APE9-dist-out 14.6648 C177S,C222S,K250A,K251A,K265A,K270A None None XRAY 2.14 0.219 0.25 A 360.0 342.0 2 27 27 0 [[26, 321]] 1.0 3e7o CMGC_MAPK9_HUMAN CMGC 2.7e-84 288.8 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 9
CMGC MAPK9 MK09_HUMAN 3E7OB P45984 8 362 424.0 35F:2 Type1 Inactive DFGin 4.2756 14.3183 ABAminus -85.32, -37.61 -133.45, 175.33 -107.39, 15.94 299.45, 88.14 90.36, 999.0 in-in in 9.4665 Saltbr-in 2.8008 HRD-in -71.07, -57.75 72.11, -12.31 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -39.52 APE8-rot-out 181.64 APE67-dihe-in -65.99, -17.44 -49.19, -35.22 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C177S,C222S,K250A,K251A,K265A,K270A None None XRAY 2.14 0.219 0.25 B 360.0 326.0 19 27 11 16 [[26, 321]] 1.0 3e7o CMGC_MAPK9_HUMAN CMGC 2.7e-84 288.8 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 9

Ligand: 35F

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 100.0% 3E7OA
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 MAPK9 MK09_HUMAN 3E7OA P45984 9 361 424.0 35F:1 Type1 Inactive DFGin 4.2658 14.5259 ABAminus -84.35, -29.35 -149.55, 177.24 -106.27, 9.79 301.22, 95.14 60.95, -143.01 in-in in 9.4394 Saltbr-in 2.6864 HRD-in -64.97, -51.12 67.58, -6.1 in-out-out SNCioo out-out ActLoopNT-out 5.5191 ActLoopCT-out nonTYR APEdihe_aaiio APEdist_oooo APE10-dihe-na -84.71, -45.82 APE9-dihe-na -76.84, -178.43 APE8-dihe-in -88.6, 137.99 APE8-rot-in 266.04 APE67-dihe-out -72.72, -13.34 -138.1, 64.96 APE12-dist-out 20.2903 APE11-dist-out 15.6856 APE10-dist-out 19.3278 APE9-dist-out 14.6648 C177S,C222S,K250A,K251A,K265A,K270A None None XRAY 2.14 0.219 0.25 A 360.0 342.0 2 27 27 0 [[26, 321]] 1.0 3e7o Homo sapiens CMGC_MAPK9_HUMAN CMGC 2.7e-84 288.8 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 9
CMGC MAPK9 MK09_HUMAN 3E7OB P45984 8 362 424.0 35F:2 Type1 Inactive DFGin 4.2756 14.3183 ABAminus -85.32, -37.61 -133.45, 175.33 -107.39, 15.94 299.45, 88.14 90.36, 999.0 in-in in 9.4665 Saltbr-in 2.8008 HRD-in -71.07, -57.75 72.11, -12.31 in-none-out SNCino none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aanoi APEdist_nnnn APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, 999.0 APE8-dihe-none 999.0, -39.52 APE8-rot-out 181.64 APE67-dihe-in -65.99, -17.44 -49.19, -35.22 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-none 999.0 C177S,C222S,K250A,K251A,K265A,K270A None None XRAY 2.14 0.219 0.25 B 360.0 326.0 19 27 11 16 [[26, 321]] 1.0 3e7o Homo sapiens CMGC_MAPK9_HUMAN CMGC 2.7e-84 288.8 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 9

Ligand: 35F

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