Ligand: A1IXL

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% 9HUKA
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 9HUKA P49841 25 385 420.0 A1IXL:501 Type1 Inactive DFGin 7.0533 14.0777 BLAminus -135.25, -177.02 57.0, 94.14 -110.6, 20.82 285.12, 72.82 -66.1, -13.46 in-out in 8.1101 Saltbr-out 3.6586 HRD-in -70.91, -39.46 63.28, 18.66 out-in-in SNCoii in-in ActLoopNT-in 3.1574 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -82.9, 179.26 APE9-dihe-na 68.03, 135.17 APE8-dihe-in -69.47, 168.34 APE8-rot-in 295.64 APE67-dihe-inflip 67.51, -44.25 -66.67, 175.58 APE12-dist-in 13.1194 APE11-dist-in 10.9456 APE10-dist-in 5.924 APE9-dist-in 3.2016 None None None XRAY 3.5 0.219 0.25 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9huk CMGC_GSK3B_HUMAN CMGC 3.8e-70 242.6 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 9HUKB P49841 26 382 420.0 A1IXL:501 Type1 Active DFGin 7.4628 14.0621 BLAminus -139.0, -179.94 58.73, 94.97 -114.49, 25.32 285.15, 69.98 -63.61, -20.61 in-in in 8.1298 Saltbr-in 3.2803 HRD-in -69.2, -40.72 63.39, 20.78 in-in-in SNCiii in-in ActLoopNT-in 3.0415 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -83.58, -178.87 APE9-dihe-na 67.27, 135.83 APE8-dihe-in -80.15, 163.62 APE8-rot-in 319.54 APE67-dihe-inflip 75.84, -27.97 -60.6, 162.6 APE12-dist-in 12.8383 APE11-dist-in 10.7437 APE10-dist-in 5.7296 APE9-dist-in 3.2115 None None None XRAY 3.5 0.219 0.25 B 442.0 357.0 0 27 27 0 [[56, 340]] 1.0 9huk CMGC_GSK3B_HUMAN CMGC 3.8e-70 242.6 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: A1IXL

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% 9HUKA
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 9HUKA P49841 25 385 420.0 A1IXL:501 Type1 Inactive DFGin 7.0533 14.0777 BLAminus -135.25, -177.02 57.0, 94.14 -110.6, 20.82 285.12, 72.82 -66.1, -13.46 in-out in 8.1101 Saltbr-out 3.6586 HRD-in -70.91, -39.46 63.28, 18.66 out-in-in SNCoii in-in ActLoopNT-in 3.1574 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -82.9, 179.26 APE9-dihe-na 68.03, 135.17 APE8-dihe-in -69.47, 168.34 APE8-rot-in 295.64 APE67-dihe-inflip 67.51, -44.25 -66.67, 175.58 APE12-dist-in 13.1194 APE11-dist-in 10.9456 APE10-dist-in 5.924 APE9-dist-in 3.2016 None None None XRAY 3.5 0.219 0.25 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9huk Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.8e-70 242.6 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 9HUKB P49841 26 382 420.0 A1IXL:501 Type1 Active DFGin 7.4628 14.0621 BLAminus -139.0, -179.94 58.73, 94.97 -114.49, 25.32 285.15, 69.98 -63.61, -20.61 in-in in 8.1298 Saltbr-in 3.2803 HRD-in -69.2, -40.72 63.39, 20.78 in-in-in SNCiii in-in ActLoopNT-in 3.0415 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -83.58, -178.87 APE9-dihe-na 67.27, 135.83 APE8-dihe-in -80.15, 163.62 APE8-rot-in 319.54 APE67-dihe-inflip 75.84, -27.97 -60.6, 162.6 APE12-dist-in 12.8383 APE11-dist-in 10.7437 APE10-dist-in 5.7296 APE9-dist-in 3.2115 None None None XRAY 3.5 0.219 0.25 B 442.0 357.0 0 27 27 0 [[56, 340]] 1.0 9huk Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.8e-70 242.6 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: A1IXL

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