Ligand: L7W

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% 7U36A
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 7U36A P49841 36 385 420.0 L7W:402 Type1 Active DFGin 7.0548 14.0575 BLAminus -140.39, -178.87 60.34, 89.59 -105.19, 18.12 284.52, 86.52 -57.6, -32.5 in-in in 8.4531 Saltbr-in 3.0188 HRD-in -77.18, -47.14 70.51, 17.98 in-in-in SNCiii in-in ActLoopNT-in 2.9592 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.43, -45.81 APE9-dihe-na -84.57, 153.41 APE8-dihe-in -68.83, 161.86 APE8-rot-in 280.03 APE67-dihe-in -82.26, -16.89 -53.14, -56.37 APE12-dist-in 12.8704 APE11-dist-in 10.7585 APE10-dist-in 5.8125 APE9-dist-in 3.1894 None None None XRAY 2.75 0.24 0.275 A 351.0 350.0 0 27 27 0 [[56, 340]] 1.0 7u36 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 7U36B P49841 37 382 420.0 L7W:402 Type1 Active DFGin 7.0561 14.0712 BLAminus -141.26, -179.45 60.58, 88.51 -105.71, 18.11 283.81, 87.44 -57.54, -31.03 in-in in 8.4984 Saltbr-in 2.9906 HRD-in -77.32, -47.05 68.98, 19.83 in-in-in SNCiii in-in ActLoopNT-in 2.963 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -102.55, 163.3 APE9-dihe-na 90.09, 132.18 APE8-dihe-in -72.41, 162.37 APE8-rot-in 279.62 APE67-dihe-in -81.75, -17.56 -53.5, -56.42 APE12-dist-in 12.8558 APE11-dist-in 10.7783 APE10-dist-in 5.7902 APE9-dist-in 3.107 None None None XRAY 2.75 0.24 0.275 B 351.0 346.0 0 27 27 0 [[56, 340]] 1.0 7u36 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: L7W

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% 7U36A
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 7U36A P49841 36 385 420.0 L7W:402 Type1 Active DFGin 7.0548 14.0575 BLAminus -140.39, -178.87 60.34, 89.59 -105.19, 18.12 284.52, 86.52 -57.6, -32.5 in-in in 8.4531 Saltbr-in 3.0188 HRD-in -77.18, -47.14 70.51, 17.98 in-in-in SNCiii in-in ActLoopNT-in 2.9592 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.43, -45.81 APE9-dihe-na -84.57, 153.41 APE8-dihe-in -68.83, 161.86 APE8-rot-in 280.03 APE67-dihe-in -82.26, -16.89 -53.14, -56.37 APE12-dist-in 12.8704 APE11-dist-in 10.7585 APE10-dist-in 5.8125 APE9-dist-in 3.1894 None None None XRAY 2.75 0.24 0.275 A 351.0 350.0 0 27 27 0 [[56, 340]] 1.0 7u36 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 7U36B P49841 37 382 420.0 L7W:402 Type1 Active DFGin 7.0561 14.0712 BLAminus -141.26, -179.45 60.58, 88.51 -105.71, 18.11 283.81, 87.44 -57.54, -31.03 in-in in 8.4984 Saltbr-in 2.9906 HRD-in -77.32, -47.05 68.98, 19.83 in-in-in SNCiii in-in ActLoopNT-in 2.963 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -102.55, 163.3 APE9-dihe-na 90.09, 132.18 APE8-dihe-in -72.41, 162.37 APE8-rot-in 279.62 APE67-dihe-in -81.75, -17.56 -53.5, -56.42 APE12-dist-in 12.8558 APE11-dist-in 10.7783 APE10-dist-in 5.7902 APE9-dist-in 3.107 None None None XRAY 2.75 0.24 0.275 B 351.0 346.0 0 27 27 0 [[56, 340]] 1.0 7u36 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: L7W

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