Ligand: ATU

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% 1Q3WA
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 1Q3WA P49841 35 386 420.0 ATU:502 Type1 Active DFGin 7.1464 13.9518 BLAminus -137.77, 177.61 62.94, 83.24 -96.07, 24.67 288.22, 69.87 -66.71, -10.0 in-in in 8.3223 Saltbr-in 2.9235 HRD-in -67.11, -47.79 71.57, 6.31 in-in-in SNCiii in-in ActLoopNT-in 3.0225 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -91.32, 172.63 APE9-dihe-na 77.53, 136.48 APE8-dihe-in -79.93, 143.51 APE8-rot-in 298.62 APE67-dihe-in -62.35, -17.4 -13.52, -82.56 APE12-dist-in 13.0749 APE11-dist-in 11.129 APE10-dist-in 5.9641 APE9-dist-in 3.1434 None None None XRAY 2.3 0.225 0.248 A 424.0 344.0 8 27 27 0 [[56, 340]] 1.0 1q3w CMGC_GSK3B_HUMAN CMGC 3.3e-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 1Q3WB P49841 35 383 420.0 ATU:501 Type1 Active DFGin 7.0895 14.2696 BLAminus -140.46, 175.46 63.78, 84.76 -97.02, 22.89 286.31, 71.96 -64.9, -10.6 in-in in 8.5467 Saltbr-in 2.7917 HRD-in -67.92, -47.98 71.69, 6.95 in-in-in SNCiii in-in ActLoopNT-in 3.0188 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.2, 172.08 APE9-dihe-na 78.0, 136.99 APE8-dihe-in -80.5, 143.58 APE8-rot-in 301.78 APE67-dihe-in -64.47, -16.3 -12.81, -81.64 APE12-dist-in 13.0688 APE11-dist-in 11.1114 APE10-dist-in 5.9384 APE9-dist-in 3.1466 None None None XRAY 2.3 0.225 0.248 B 424.0 341.0 8 27 27 0 [[56, 340]] 1.0 1q3w CMGC_GSK3B_HUMAN CMGC 3.3e-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: ATU

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% 1Q3WA
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 1Q3WA P49841 35 386 420.0 ATU:502 Type1 Active DFGin 7.1464 13.9518 BLAminus -137.77, 177.61 62.94, 83.24 -96.07, 24.67 288.22, 69.87 -66.71, -10.0 in-in in 8.3223 Saltbr-in 2.9235 HRD-in -67.11, -47.79 71.57, 6.31 in-in-in SNCiii in-in ActLoopNT-in 3.0225 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -91.32, 172.63 APE9-dihe-na 77.53, 136.48 APE8-dihe-in -79.93, 143.51 APE8-rot-in 298.62 APE67-dihe-in -62.35, -17.4 -13.52, -82.56 APE12-dist-in 13.0749 APE11-dist-in 11.129 APE10-dist-in 5.9641 APE9-dist-in 3.1434 None None None XRAY 2.3 0.225 0.248 A 424.0 344.0 8 27 27 0 [[56, 340]] 1.0 1q3w Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.3e-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 1Q3WB P49841 35 383 420.0 ATU:501 Type1 Active DFGin 7.0895 14.2696 BLAminus -140.46, 175.46 63.78, 84.76 -97.02, 22.89 286.31, 71.96 -64.9, -10.6 in-in in 8.5467 Saltbr-in 2.7917 HRD-in -67.92, -47.98 71.69, 6.95 in-in-in SNCiii in-in ActLoopNT-in 3.0188 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.2, 172.08 APE9-dihe-na 78.0, 136.99 APE8-dihe-in -80.5, 143.58 APE8-rot-in 301.78 APE67-dihe-in -64.47, -16.3 -12.81, -81.64 APE12-dist-in 13.0688 APE11-dist-in 11.1114 APE10-dist-in 5.9384 APE9-dist-in 3.1466 None None None XRAY 2.3 0.225 0.248 B 424.0 341.0 8 27 27 0 [[56, 340]] 1.0 1q3w Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.3e-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: ATU

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