Ligand: G8B

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6HK3A
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 6HK3A P49841 35 384 420.0 G8B:401 Type1 Inactive DFGin 6.9186 13.7488 BLAminus -140.26, -177.42 53.43, 89.98 -101.44, 26.95 281.28, 77.81 -71.94, -4.92 in-in in 8.2647 Saltbr-in 2.5202 HRD-in -65.54, -43.12 59.71, 15.8 in-in-out SNCiio in-out ActLoopNT-in 2.9314 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -120.05, -174.23 APE9-dihe-na 65.54, 142.28 APE8-dihe-in -62.37, 137.73 APE8-rot-out 183.0 APE67-dihe-in -57.53, -32.37 -39.19, -57.21 APE12-dist-in 13.3885 APE11-dist-in 11.7623 APE10-dist-in 6.4209 APE9-dist-in 3.2183 None PTR216 PTR216 XRAY 2.35 0.206 0.234 A 350.0 350.0 0 27 27 0 [[56, 340]] 1.0 6hk3 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 6HK3B P49841 35 384 420.0 G8B:401 Type1 Active DFGin 6.7879 13.6408 BLAminus -137.2, -177.06 49.94, 95.88 -103.42, 19.32 279.02, 79.18 -69.5, -12.66 in-in in 8.1675 Saltbr-in 2.6023 HRD-in -82.47, -44.32 66.17, 21.49 in-in-in SNCiii in-in ActLoopNT-in 2.8186 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -116.65, -179.5 APE9-dihe-na 72.73, 150.58 APE8-dihe-in -63.57, 140.77 APE8-rot-in 271.9 APE67-dihe-in -55.77, -29.98 -51.2, -52.31 APE12-dist-in 13.4077 APE11-dist-in 11.6419 APE10-dist-in 6.3651 APE9-dist-in 3.2489 None PTR216 PTR216 XRAY 2.35 0.206 0.234 B 350.0 350.0 0 27 27 0 [[56, 340]] 1.0 6hk3 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: G8B

Total number of chains: 2
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 6HK3A
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 6HK3A P49841 35 384 420.0 G8B:401 Type1 Inactive DFGin 6.9186 13.7488 BLAminus -140.26, -177.42 53.43, 89.98 -101.44, 26.95 281.28, 77.81 -71.94, -4.92 in-in in 8.2647 Saltbr-in 2.5202 HRD-in -65.54, -43.12 59.71, 15.8 in-in-out SNCiio in-out ActLoopNT-in 2.9314 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -120.05, -174.23 APE9-dihe-na 65.54, 142.28 APE8-dihe-in -62.37, 137.73 APE8-rot-out 183.0 APE67-dihe-in -57.53, -32.37 -39.19, -57.21 APE12-dist-in 13.3885 APE11-dist-in 11.7623 APE10-dist-in 6.4209 APE9-dist-in 3.2183 None PTR216 PTR216 XRAY 2.35 0.206 0.234 A 350.0 350.0 0 27 27 0 [[56, 340]] 1.0 6hk3 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 6HK3B P49841 35 384 420.0 G8B:401 Type1 Active DFGin 6.7879 13.6408 BLAminus -137.2, -177.06 49.94, 95.88 -103.42, 19.32 279.02, 79.18 -69.5, -12.66 in-in in 8.1675 Saltbr-in 2.6023 HRD-in -82.47, -44.32 66.17, 21.49 in-in-in SNCiii in-in ActLoopNT-in 2.8186 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -116.65, -179.5 APE9-dihe-na 72.73, 150.58 APE8-dihe-in -63.57, 140.77 APE8-rot-in 271.9 APE67-dihe-in -55.77, -29.98 -51.2, -52.31 APE12-dist-in 13.4077 APE11-dist-in 11.6419 APE10-dist-in 6.3651 APE9-dist-in 3.2489 None PTR216 PTR216 XRAY 2.35 0.206 0.234 B 350.0 350.0 0 27 27 0 [[56, 340]] 1.0 6hk3 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: G8B

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