Ligand: 3HT

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% 3F88A
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 3F88A P49841 35 383 420.0 3HT:999 Type1 Active DFGin 7.2474 13.7299 BLAminus -137.96, -171.11 53.2, 96.02 -109.46, 31.55 277.23, 77.74 -85.58, 3.2 in-in in 8.6202 Saltbr-in 2.5161 HRD-in -66.41, -48.84 71.78, 26.38 in-in-in SNCiii in-in ActLoopNT-in 3.1406 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -144.98, 165.73 APE9-dihe-na 69.33, 171.05 APE8-dihe-in -86.85, 130.82 APE8-rot-in 314.66 APE67-dihe-in -71.94, -20.16 -24.55, -52.13 APE12-dist-in 13.5473 APE11-dist-in 12.041 APE10-dist-in 7.3411 APE9-dist-in 3.5985 None PTR216 PTR216 XRAY 2.6 0.204 0.281 A 349.0 341.0 8 27 27 0 [[56, 340]] 1.0 3f88 CMGC_GSK3B_HUMAN CMGC 2.9e-70 243.0 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 3F88B P49841 35 383 420.0 3HT:999 Type1 Active DFGin 6.9996 13.6509 BLAminus -143.93, 176.87 66.18, 95.41 -113.06, 21.86 281.61, 81.82 -72.47, -7.16 in-in in 8.7652 Saltbr-in 2.6705 HRD-in -64.13, -56.14 79.67, 28.55 in-in-in SNCiii in-in ActLoopNT-in 3.1764 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -154.92, 167.15 APE9-dihe-na 65.97, 165.61 APE8-dihe-in -80.57, 145.62 APE8-rot-in 308.56 APE67-dihe-in -71.31, -21.5 -44.75, -45.4 APE12-dist-in 13.509 APE11-dist-in 11.9668 APE10-dist-in 7.2567 APE9-dist-in 3.4061 None PTR216 PTR216 XRAY 2.6 0.204 0.281 B 349.0 341.0 8 27 27 0 [[56, 340]] 1.0 3f88 CMGC_GSK3B_HUMAN CMGC 2.9e-70 243.0 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: 3HT

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% 3F88A
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 3F88A P49841 35 383 420.0 3HT:999 Type1 Active DFGin 7.2474 13.7299 BLAminus -137.96, -171.11 53.2, 96.02 -109.46, 31.55 277.23, 77.74 -85.58, 3.2 in-in in 8.6202 Saltbr-in 2.5161 HRD-in -66.41, -48.84 71.78, 26.38 in-in-in SNCiii in-in ActLoopNT-in 3.1406 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -144.98, 165.73 APE9-dihe-na 69.33, 171.05 APE8-dihe-in -86.85, 130.82 APE8-rot-in 314.66 APE67-dihe-in -71.94, -20.16 -24.55, -52.13 APE12-dist-in 13.5473 APE11-dist-in 12.041 APE10-dist-in 7.3411 APE9-dist-in 3.5985 None PTR216 PTR216 XRAY 2.6 0.204 0.281 A 349.0 341.0 8 27 27 0 [[56, 340]] 1.0 3f88 Homo sapiens CMGC_GSK3B_HUMAN CMGC 2.9e-70 243.0 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 3F88B P49841 35 383 420.0 3HT:999 Type1 Active DFGin 6.9996 13.6509 BLAminus -143.93, 176.87 66.18, 95.41 -113.06, 21.86 281.61, 81.82 -72.47, -7.16 in-in in 8.7652 Saltbr-in 2.6705 HRD-in -64.13, -56.14 79.67, 28.55 in-in-in SNCiii in-in ActLoopNT-in 3.1764 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -154.92, 167.15 APE9-dihe-na 65.97, 165.61 APE8-dihe-in -80.57, 145.62 APE8-rot-in 308.56 APE67-dihe-in -71.31, -21.5 -44.75, -45.4 APE12-dist-in 13.509 APE11-dist-in 11.9668 APE10-dist-in 7.2567 APE9-dist-in 3.4061 None PTR216 PTR216 XRAY 2.6 0.204 0.281 B 349.0 341.0 8 27 27 0 [[56, 340]] 1.0 3f88 Homo sapiens CMGC_GSK3B_HUMAN CMGC 2.9e-70 243.0 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: 3HT

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