Ligand: 553

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 3DU8A
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 3DU8A P49841 35 382 420.0 553:553 Type1 Active DFGin 6.9922 13.9377 BLAminus -138.88, -177.6 60.76, 81.45 -97.52, 17.85 284.1, 81.79 -60.5, -23.71 in-in in 8.7135 Saltbr-in 2.6861 HRD-in -70.97, -44.22 68.9, 5.64 in-in-in SNCiii in-in ActLoopNT-in 2.9768 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -79.61, 170.6 APE9-dihe-na 82.17, 142.06 APE8-dihe-in -90.1, 145.24 APE8-rot-in 300.29 APE67-dihe-inflip 98.68, -34.99 -51.44, 136.14 APE12-dist-in 13.0356 APE11-dist-in 10.9436 APE10-dist-in 5.7637 APE9-dist-in 3.1519 None None None XRAY 2.2 0.215 0.246 A 422.0 336.0 12 27 27 0 [[56, 340]] 1.0 3du8 CMGC_GSK3B_HUMAN CMGC 3.3e-70 242.8 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 3DU8B P49841 35 385 420.0 553:553 Type1 Active DFGin 7.1097 14.0005 BLAminus -130.0, -177.1 64.69, 78.27 -91.27, 21.46 283.91, 80.88 -65.59, -20.64 in-in in 8.7421 Saltbr-in 2.7016 HRD-in -71.12, -43.48 71.58, 1.27 in-in-in SNCiii in-in ActLoopNT-in 2.9923 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -75.13, 166.25 APE9-dihe-na 83.98, 139.39 APE8-dihe-in -88.38, 143.61 APE8-rot-in 294.95 APE67-dihe-inflip 93.54, -38.98 -56.03, 145.75 APE12-dist-in 13.0504 APE11-dist-in 11.1301 APE10-dist-in 5.901 APE9-dist-in 3.1759 None None None XRAY 2.2 0.215 0.246 B 422.0 339.0 12 27 27 0 [[56, 340]] 1.0 3du8 CMGC_GSK3B_HUMAN CMGC 3.3e-70 242.8 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: 553

Total number of chains: 2
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 3DU8A
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 3DU8A P49841 35 382 420.0 553:553 Type1 Active DFGin 6.9922 13.9377 BLAminus -138.88, -177.6 60.76, 81.45 -97.52, 17.85 284.1, 81.79 -60.5, -23.71 in-in in 8.7135 Saltbr-in 2.6861 HRD-in -70.97, -44.22 68.9, 5.64 in-in-in SNCiii in-in ActLoopNT-in 2.9768 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -79.61, 170.6 APE9-dihe-na 82.17, 142.06 APE8-dihe-in -90.1, 145.24 APE8-rot-in 300.29 APE67-dihe-inflip 98.68, -34.99 -51.44, 136.14 APE12-dist-in 13.0356 APE11-dist-in 10.9436 APE10-dist-in 5.7637 APE9-dist-in 3.1519 None None None XRAY 2.2 0.215 0.246 A 422.0 336.0 12 27 27 0 [[56, 340]] 1.0 3du8 Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.3e-70 242.8 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 3DU8B P49841 35 385 420.0 553:553 Type1 Active DFGin 7.1097 14.0005 BLAminus -130.0, -177.1 64.69, 78.27 -91.27, 21.46 283.91, 80.88 -65.59, -20.64 in-in in 8.7421 Saltbr-in 2.7016 HRD-in -71.12, -43.48 71.58, 1.27 in-in-in SNCiii in-in ActLoopNT-in 2.9923 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -75.13, 166.25 APE9-dihe-na 83.98, 139.39 APE8-dihe-in -88.38, 143.61 APE8-rot-in 294.95 APE67-dihe-inflip 93.54, -38.98 -56.03, 145.75 APE12-dist-in 13.0504 APE11-dist-in 11.1301 APE10-dist-in 5.901 APE9-dist-in 3.1759 None None None XRAY 2.2 0.215 0.246 B 422.0 339.0 12 27 27 0 [[56, 340]] 1.0 3du8 Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.3e-70 242.8 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: 553

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