Ligand: OHK

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% 6Y9SA
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 GSK3B GSK3B_HUMAN 6Y9SA P49841 35 383 420.0 OHK:401 Type1 Inactive DFGin 6.7588 13.6151 ABAminus -144.68, -36.37 -95.25, 102.78 -104.54, 22.52 286.7, 80.89 -71.31, -22.3 in-in in 8.4688 Saltbr-in 2.731 HRD-in -69.96, -46.79 66.16, 22.69 in-in-out SNCiio in-out ActLoopNT-in 2.8691 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -143.41, 160.13 APE9-dihe-na 78.21, 163.56 APE8-dihe-in -74.57, 133.14 APE8-rot-out 174.03 APE67-dihe-in -60.25, -21.67 -45.31, -52.5 APE12-dist-in 13.3908 APE11-dist-in 11.6341 APE10-dist-in 6.8152 APE9-dist-in 3.2172 None PTR216 PTR216 XRAY 2.03 0.204 0.249 A 350.0 344.0 5 27 27 0 [[56, 340]] 1.0 6y9s CMGC_GSK3B_HUMAN CMGC 1.8e-70 243.7 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 6Y9SB P49841 35 383 420.0 OHK:401 Type1 Inactive DFGin 6.4656 13.6443 ABAminus -142.08, -29.11 -101.71, 107.32 -109.34, 26.02 290.64, 79.47 -70.13, -24.37 in-in in 8.6267 Saltbr-in 2.6258 HRD-in -62.98, -47.75 66.63, 19.7 in-in-out SNCiio in-out ActLoopNT-in 2.8706 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -149.54, 160.17 APE9-dihe-na 74.78, 156.26 APE8-dihe-in -72.21, 136.72 APE8-rot-out 179.96 APE67-dihe-in -63.91, -18.81 -47.88, -49.22 APE12-dist-in 13.498 APE11-dist-in 11.6964 APE10-dist-in 6.9402 APE9-dist-in 3.1721 None PTR216 PTR216 XRAY 2.03 0.204 0.249 B 350.0 340.0 9 27 27 0 [[56, 340]] 1.0 6y9s CMGC_GSK3B_HUMAN CMGC 1.8e-70 243.7 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta

Ligand: OHK

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% 6Y9SA
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 GSK3B GSK3B_HUMAN 6Y9SA P49841 35 383 420.0 OHK:401 Type1 Inactive DFGin 6.7588 13.6151 ABAminus -144.68, -36.37 -95.25, 102.78 -104.54, 22.52 286.7, 80.89 -71.31, -22.3 in-in in 8.4688 Saltbr-in 2.731 HRD-in -69.96, -46.79 66.16, 22.69 in-in-out SNCiio in-out ActLoopNT-in 2.8691 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -143.41, 160.13 APE9-dihe-na 78.21, 163.56 APE8-dihe-in -74.57, 133.14 APE8-rot-out 174.03 APE67-dihe-in -60.25, -21.67 -45.31, -52.5 APE12-dist-in 13.3908 APE11-dist-in 11.6341 APE10-dist-in 6.8152 APE9-dist-in 3.2172 None PTR216 PTR216 XRAY 2.03 0.204 0.249 A 350.0 344.0 5 27 27 0 [[56, 340]] 1.0 6y9s Homo sapiens CMGC_GSK3B_HUMAN CMGC 1.8e-70 243.7 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta
CMGC GSK3B GSK3B_HUMAN 6Y9SB P49841 35 383 420.0 OHK:401 Type1 Inactive DFGin 6.4656 13.6443 ABAminus -142.08, -29.11 -101.71, 107.32 -109.34, 26.02 290.64, 79.47 -70.13, -24.37 in-in in 8.6267 Saltbr-in 2.6258 HRD-in -62.98, -47.75 66.63, 19.7 in-in-out SNCiio in-out ActLoopNT-in 2.8706 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -149.54, 160.17 APE9-dihe-na 74.78, 156.26 APE8-dihe-in -72.21, 136.72 APE8-rot-out 179.96 APE67-dihe-in -63.91, -18.81 -47.88, -49.22 APE12-dist-in 13.498 APE11-dist-in 11.6964 APE10-dist-in 6.9402 APE9-dist-in 3.1721 None PTR216 PTR216 XRAY 2.03 0.204 0.249 B 350.0 340.0 9 27 27 0 [[56, 340]] 1.0 6y9s Homo sapiens CMGC_GSK3B_HUMAN CMGC 1.8e-70 243.7 1.0 301.0 301.0 199 200 201 203 205 85 97 101 178 180 179 181.0 239 226 221 220 219 218 217 216 215 133 Glycogen synthase kinase-3 beta

Ligand: OHK

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