Ligand: OFT

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% 3SAYB
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 3SAYA P49841 35 384 420.0 OFT:431 Type1 Active DFGin 6.9238 14.2084 BLAminus -134.06, -176.24 58.1, 80.75 -95.49, 24.69 285.79, 80.8 -58.99, -23.52 in-in in 8.7646 Saltbr-in 2.6835 HRD-in -76.77, -47.73 71.86, 15.98 in-in-in SNCiii in-in ActLoopNT-in 2.8872 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.28, 177.68 APE9-dihe-na 70.36, 150.2 APE8-dihe-in -70.69, 142.5 APE8-rot-in 303.06 APE67-dihe-in -64.8, -21.63 -53.21, -43.25 APE12-dist-in 13.4747 APE11-dist-in 11.7676 APE10-dist-in 6.4744 APE9-dist-in 3.1409 None PTR216 PTR216 XRAY 2.231 0.202 0.23 A 430.0 348.0 2 27 27 0 [[56, 340]] 1.0 3say CMGC_GSK3B_HUMAN CMGC 3.5e-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 3SAYB P49841 35 382 420.0 OFT:431 Type1 Active DFGin 7.0946 14.2081 BLAminus -125.43, -174.49 59.4, 82.08 -94.07, 22.41 283.95, 82.11 -68.04, -11.91 in-in in 8.7759 Saltbr-in 2.5965 HRD-in -71.92, -46.59 68.83, 6.83 in-in-in SNCiii in-in ActLoopNT-in 2.9773 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -152.5, 172.68 APE9-dihe-na 72.51, 152.54 APE8-dihe-in -66.45, 133.95 APE8-rot-in 293.34 APE67-dihe-in -62.41, -25.02 -42.21, -48.58 APE12-dist-in 13.5034 APE11-dist-in 11.8296 APE10-dist-in 6.7035 APE9-dist-in 3.0926 None PTR216 PTR216 XRAY 2.231 0.202 0.23 B 430.0 348.0 0 27 27 0 [[56, 340]] 1.0 3say CMGC_GSK3B_HUMAN CMGC 3.5e-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: OFT

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% 3SAYB
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 3SAYA P49841 35 384 420.0 OFT:431 Type1 Active DFGin 6.9238 14.2084 BLAminus -134.06, -176.24 58.1, 80.75 -95.49, 24.69 285.79, 80.8 -58.99, -23.52 in-in in 8.7646 Saltbr-in 2.6835 HRD-in -76.77, -47.73 71.86, 15.98 in-in-in SNCiii in-in ActLoopNT-in 2.8872 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -139.28, 177.68 APE9-dihe-na 70.36, 150.2 APE8-dihe-in -70.69, 142.5 APE8-rot-in 303.06 APE67-dihe-in -64.8, -21.63 -53.21, -43.25 APE12-dist-in 13.4747 APE11-dist-in 11.7676 APE10-dist-in 6.4744 APE9-dist-in 3.1409 None PTR216 PTR216 XRAY 2.231 0.202 0.23 A 430.0 348.0 2 27 27 0 [[56, 340]] 1.0 3say Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.5e-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 3SAYB P49841 35 382 420.0 OFT:431 Type1 Active DFGin 7.0946 14.2081 BLAminus -125.43, -174.49 59.4, 82.08 -94.07, 22.41 283.95, 82.11 -68.04, -11.91 in-in in 8.7759 Saltbr-in 2.5965 HRD-in -71.92, -46.59 68.83, 6.83 in-in-in SNCiii in-in ActLoopNT-in 2.9773 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -152.5, 172.68 APE9-dihe-na 72.51, 152.54 APE8-dihe-in -66.45, 133.95 APE8-rot-in 293.34 APE67-dihe-in -62.41, -25.02 -42.21, -48.58 APE12-dist-in 13.5034 APE11-dist-in 11.8296 APE10-dist-in 6.7035 APE9-dist-in 3.0926 None PTR216 PTR216 XRAY 2.231 0.202 0.23 B 430.0 348.0 0 27 27 0 [[56, 340]] 1.0 3say Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.5e-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: OFT

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