Ligand: GR9

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% 4ACDA
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 4ACDA P49841 35 385 420.0 GR9:1385 Type1 Active DFGin 7.1862 13.3568 BLAminus -142.44, 176.49 66.05, 88.14 -100.25, 16.93 286.04, 81.9 -64.04, -24.03 in-in in 8.3063 Saltbr-in 2.9365 HRD-in -63.25, -48.42 73.67, 5.76 in-in-in SNCiii in-in ActLoopNT-in 2.8831 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -87.94, 167.01 APE9-dihe-na 78.77, 128.64 APE8-dihe-in -74.85, 143.25 APE8-rot-in 302.95 APE67-dihe-inflip 99.55, -31.6 -49.31, 132.99 APE12-dist-in 12.8767 APE11-dist-in 10.8678 APE10-dist-in 5.9097 APE9-dist-in 3.2101 None None None XRAY 2.6 0.18 0.226 A 465.0 351.0 0 27 27 0 [[56, 340]] 1.0 4acd CMGC_GSK3B_HUMAN CMGC 4.4e-70 242.4 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 4ACDB P49841 35 385 420.0 GR9:1385 Type1 Active DFGin 7.1414 13.3767 BLAminus -142.06, 177.81 64.05, 89.32 -100.31, 16.47 285.95, 82.89 -62.46, -26.08 in-in in 8.2225 Saltbr-in 2.9412 HRD-in -62.52, -48.15 72.88, 6.33 in-in-in SNCiii in-in ActLoopNT-in 2.8916 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -86.53, 167.96 APE9-dihe-na 77.33, 127.92 APE8-dihe-in -74.4, 143.25 APE8-rot-in 302.61 APE67-dihe-inflip 99.75, -32.16 -47.58, 132.33 APE12-dist-in 12.9284 APE11-dist-in 10.9465 APE10-dist-in 5.956 APE9-dist-in 3.211 None None None XRAY 2.6 0.18 0.226 B 465.0 351.0 0 27 27 0 [[56, 340]] 1.0 4acd CMGC_GSK3B_HUMAN CMGC 4.4e-70 242.4 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: GR9

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% 4ACDA
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 4ACDA P49841 35 385 420.0 GR9:1385 Type1 Active DFGin 7.1862 13.3568 BLAminus -142.44, 176.49 66.05, 88.14 -100.25, 16.93 286.04, 81.9 -64.04, -24.03 in-in in 8.3063 Saltbr-in 2.9365 HRD-in -63.25, -48.42 73.67, 5.76 in-in-in SNCiii in-in ActLoopNT-in 2.8831 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -87.94, 167.01 APE9-dihe-na 78.77, 128.64 APE8-dihe-in -74.85, 143.25 APE8-rot-in 302.95 APE67-dihe-inflip 99.55, -31.6 -49.31, 132.99 APE12-dist-in 12.8767 APE11-dist-in 10.8678 APE10-dist-in 5.9097 APE9-dist-in 3.2101 None None None XRAY 2.6 0.18 0.226 A 465.0 351.0 0 27 27 0 [[56, 340]] 1.0 4acd Homo sapiens CMGC_GSK3B_HUMAN CMGC 4.4e-70 242.4 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 4ACDB P49841 35 385 420.0 GR9:1385 Type1 Active DFGin 7.1414 13.3767 BLAminus -142.06, 177.81 64.05, 89.32 -100.31, 16.47 285.95, 82.89 -62.46, -26.08 in-in in 8.2225 Saltbr-in 2.9412 HRD-in -62.52, -48.15 72.88, 6.33 in-in-in SNCiii in-in ActLoopNT-in 2.8916 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -86.53, 167.96 APE9-dihe-na 77.33, 127.92 APE8-dihe-in -74.4, 143.25 APE8-rot-in 302.61 APE67-dihe-inflip 99.75, -32.16 -47.58, 132.33 APE12-dist-in 12.9284 APE11-dist-in 10.9465 APE10-dist-in 5.956 APE9-dist-in 3.211 None None None XRAY 2.6 0.18 0.226 B 465.0 351.0 0 27 27 0 [[56, 340]] 1.0 4acd Homo sapiens CMGC_GSK3B_HUMAN CMGC 4.4e-70 242.4 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: GR9

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