Ligand: D1E

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 7SXHA
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 GSK3A GSK3A_HUMAN 7SXGA P49840 103 445 483.0 D1E:60501 Type1 Inactive DFGin 6.9519 14.4934 BLAminus -137.84, -175.37 58.28, 67.78 -87.6, 23.71 285.65, 78.86 -65.11, -37.26 in-in in 8.4832 Saltbr-in 2.2055 HRD-in -64.7, -49.43 66.93, 5.65 in-in-out SNCiio in-out ActLoopNT-in 2.9473 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -131.83, 165.91 APE9-dihe-na 66.59, 162.4 APE8-dihe-in -70.46, 145.8 APE8-rot-out 189.07 APE67-dihe-in -61.0, -24.1 -60.57, -43.83 APE12-dist-in 13.6909 APE11-dist-in 12.0265 APE10-dist-in 7.3798 APE9-dist-in 3.2018 None PTR279 PTR279 XRAY 2.4 0.233 0.261 A 343.0 334.0 6 27 27 0 [[119, 403]] 1.0 7sxg CMGC_GSK3A_HUMAN CMGC 3e-71 246.2 1.0 301.0 301.0 262 263 264 266 268 148 160 164 241 243 242 244.0 302 289 284 283 282 281 280 279 278 196 Glycogen synthase kinase-3 alpha
CMGC GSK3B GSK3B_HUMAN 7SXHA P49841 37 383 420.0 D1E:501 Type1 Inactive DFGin 6.6502 13.9439 BLAminus -139.68, -175.41 60.2, 74.18 -88.43, 22.79 288.62, 86.11 -74.83, -15.81 in-in in 8.1673 Saltbr-in 2.8585 HRD-in -67.33, -47.27 70.7, 6.58 in-in-out SNCiio in-out ActLoopNT-in 2.863 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -126.8, 168.99 APE9-dihe-na 70.82, 157.42 APE8-dihe-in -70.74, 147.57 APE8-rot-out 190.63 APE67-dihe-in -58.92, -21.73 -57.82, -47.78 APE12-dist-in 13.7709 APE11-dist-in 11.9746 APE10-dist-in 7.3712 APE9-dist-in 3.4319 None PTR216 PTR216 XRAY 2.09 0.216 0.255 A 347.0 341.0 6 27 27 0 [[56, 340]] 1.0 7sxh CMGC_GSK3B_HUMAN CMGC 1.7e-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: D1E

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 7SXHA
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 GSK3A GSK3A_HUMAN 7SXGA P49840 103 445 483.0 D1E:60501 Type1 Inactive DFGin 6.9519 14.4934 BLAminus -137.84, -175.37 58.28, 67.78 -87.6, 23.71 285.65, 78.86 -65.11, -37.26 in-in in 8.4832 Saltbr-in 2.2055 HRD-in -64.7, -49.43 66.93, 5.65 in-in-out SNCiio in-out ActLoopNT-in 2.9473 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -131.83, 165.91 APE9-dihe-na 66.59, 162.4 APE8-dihe-in -70.46, 145.8 APE8-rot-out 189.07 APE67-dihe-in -61.0, -24.1 -60.57, -43.83 APE12-dist-in 13.6909 APE11-dist-in 12.0265 APE10-dist-in 7.3798 APE9-dist-in 3.2018 None PTR279 PTR279 XRAY 2.4 0.233 0.261 A 343.0 334.0 6 27 27 0 [[119, 403]] 1.0 7sxg Homo sapiens CMGC_GSK3A_HUMAN CMGC 3e-71 246.2 1.0 301.0 301.0 262 263 264 266 268 148 160 164 241 243 242 244.0 302 289 284 283 282 281 280 279 278 196 Glycogen synthase kinase-3 alpha
CMGC GSK3B GSK3B_HUMAN 7SXHA P49841 37 383 420.0 D1E:501 Type1 Inactive DFGin 6.6502 13.9439 BLAminus -139.68, -175.41 60.2, 74.18 -88.43, 22.79 288.62, 86.11 -74.83, -15.81 in-in in 8.1673 Saltbr-in 2.8585 HRD-in -67.33, -47.27 70.7, 6.58 in-in-out SNCiio in-out ActLoopNT-in 2.863 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -126.8, 168.99 APE9-dihe-na 70.82, 157.42 APE8-dihe-in -70.74, 147.57 APE8-rot-out 190.63 APE67-dihe-in -58.92, -21.73 -57.82, -47.78 APE12-dist-in 13.7709 APE11-dist-in 11.9746 APE10-dist-in 7.3712 APE9-dist-in 3.4319 None PTR216 PTR216 XRAY 2.09 0.216 0.255 A 347.0 341.0 6 27 27 0 [[56, 340]] 1.0 7sxh Homo sapiens CMGC_GSK3B_HUMAN CMGC 1.7e-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: D1E

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