Ligand: OS1

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% 3PUPA
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 3PUPA P49841 35 382 420.0 OS1:421 Type1 Active DFGin 6.9952 13.6372 BLAminus -143.74, 172.61 64.16, 94.87 -107.49, 13.61 287.44, 72.72 -52.4, -32.47 in-in in 8.4428 Saltbr-in 2.8069 HRD-in -86.73, -34.2 66.44, 7.86 in-in-in SNCiii in-in ActLoopNT-in 2.8568 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -111.24, -13.27 APE9-dihe-na -89.84, 168.85 APE8-dihe-in -94.34, 159.6 APE8-rot-in 296.79 APE67-dihe-in -69.26, -2.79 -42.9, -70.67 APE12-dist-in 13.0555 APE11-dist-in 10.9122 APE10-dist-in 6.171 APE9-dist-in 3.4857 None None None XRAY 2.99 0.206 0.249 A 420.0 346.0 2 27 27 0 [[56, 340]] 1.0 3pup CMGC_GSK3B_HUMAN CMGC 3.2e-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 3PUPB P49841 35 383 420.0 OS1:421 Type1 Active DFGin 6.9868 13.6463 BLAminus -146.61, 171.7 65.62, 100.17 -113.12, 21.06 287.13, 70.81 -60.05, -30.47 in-in in 8.4793 Saltbr-in 2.972 HRD-in -88.21, -42.27 77.46, 8.13 in-in-in SNCiii in-in ActLoopNT-in 2.812 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -103.13, -17.37 APE9-dihe-na -97.38, 160.84 APE8-dihe-in -100.44, 160.76 APE8-rot-in 282.35 APE67-dihe-in -75.14, -2.22 -49.84, -64.39 APE12-dist-in 13.1068 APE11-dist-in 10.9755 APE10-dist-in 6.4999 APE9-dist-in 3.7505 None None None XRAY 2.99 0.206 0.249 B 420.0 347.0 2 27 27 0 [[56, 340]] 1.0 3pup CMGC_GSK3B_HUMAN CMGC 3.2e-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: OS1

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% 3PUPA
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 3PUPA P49841 35 382 420.0 OS1:421 Type1 Active DFGin 6.9952 13.6372 BLAminus -143.74, 172.61 64.16, 94.87 -107.49, 13.61 287.44, 72.72 -52.4, -32.47 in-in in 8.4428 Saltbr-in 2.8069 HRD-in -86.73, -34.2 66.44, 7.86 in-in-in SNCiii in-in ActLoopNT-in 2.8568 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -111.24, -13.27 APE9-dihe-na -89.84, 168.85 APE8-dihe-in -94.34, 159.6 APE8-rot-in 296.79 APE67-dihe-in -69.26, -2.79 -42.9, -70.67 APE12-dist-in 13.0555 APE11-dist-in 10.9122 APE10-dist-in 6.171 APE9-dist-in 3.4857 None None None XRAY 2.99 0.206 0.249 A 420.0 346.0 2 27 27 0 [[56, 340]] 1.0 3pup Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.2e-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 3PUPB P49841 35 383 420.0 OS1:421 Type1 Active DFGin 6.9868 13.6463 BLAminus -146.61, 171.7 65.62, 100.17 -113.12, 21.06 287.13, 70.81 -60.05, -30.47 in-in in 8.4793 Saltbr-in 2.972 HRD-in -88.21, -42.27 77.46, 8.13 in-in-in SNCiii in-in ActLoopNT-in 2.812 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -103.13, -17.37 APE9-dihe-na -97.38, 160.84 APE8-dihe-in -100.44, 160.76 APE8-rot-in 282.35 APE67-dihe-in -75.14, -2.22 -49.84, -64.39 APE12-dist-in 13.1068 APE11-dist-in 10.9755 APE10-dist-in 6.4999 APE9-dist-in 3.7505 None None None XRAY 2.99 0.206 0.249 B 420.0 347.0 2 27 27 0 [[56, 340]] 1.0 3pup Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.2e-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: OS1

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