Ligand: A1IXN

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% 9HV3A
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 9HV3A P49841 25 385 420.0 A1IXN:501 Type1 Active DFGin 7.1249 13.9703 BLAminus -135.63, 170.17 69.98, 84.71 -102.55, 20.46 290.46, 80.59 -69.94, -0.25 in-in in 8.5374 Saltbr-in 2.8684 HRD-in -69.25, -48.0 72.7, 9.47 in-in-in SNCiii in-in ActLoopNT-in 2.9354 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -88.1, 169.69 APE9-dihe-na 79.34, 142.23 APE8-dihe-in -80.23, 146.96 APE8-rot-in 316.9 APE67-dihe-inflip 78.3, -27.2 -49.89, 154.45 APE12-dist-in 13.1231 APE11-dist-in 11.1203 APE10-dist-in 6.1972 APE9-dist-in 3.1364 None None None XRAY 2.9 0.208 0.238 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9hv3 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 9HV3B P49841 25 382 420.0 A1IXN:501 Type1 Active DFGin 7.0874 13.9122 BLAminus -155.32, 174.2 63.74, 86.56 -102.98, 16.67 284.3, 76.87 -64.93, -6.56 in-in in 8.5969 Saltbr-in 2.6055 HRD-in -75.09, -41.25 66.67, 4.87 in-in-in SNCiii in-in ActLoopNT-in 2.9817 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.85, 168.81 APE9-dihe-na 83.21, 130.42 APE8-dihe-in -66.5, 151.79 APE8-rot-in 306.21 APE67-dihe-inflip 94.47, -29.15 -64.06, 143.12 APE12-dist-in 12.9743 APE11-dist-in 10.8793 APE10-dist-in 5.979 APE9-dist-in 3.017 None None None XRAY 2.9 0.208 0.238 B 442.0 358.0 0 27 27 0 [[56, 340]] 1.0 9hv3 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: A1IXN

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% 9HV3A
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 9HV3A P49841 25 385 420.0 A1IXN:501 Type1 Active DFGin 7.1249 13.9703 BLAminus -135.63, 170.17 69.98, 84.71 -102.55, 20.46 290.46, 80.59 -69.94, -0.25 in-in in 8.5374 Saltbr-in 2.8684 HRD-in -69.25, -48.0 72.7, 9.47 in-in-in SNCiii in-in ActLoopNT-in 2.9354 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -88.1, 169.69 APE9-dihe-na 79.34, 142.23 APE8-dihe-in -80.23, 146.96 APE8-rot-in 316.9 APE67-dihe-inflip 78.3, -27.2 -49.89, 154.45 APE12-dist-in 13.1231 APE11-dist-in 11.1203 APE10-dist-in 6.1972 APE9-dist-in 3.1364 None None None XRAY 2.9 0.208 0.238 A 442.0 361.0 0 27 27 0 [[56, 340]] 1.0 9hv3 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 9HV3B P49841 25 382 420.0 A1IXN:501 Type1 Active DFGin 7.0874 13.9122 BLAminus -155.32, 174.2 63.74, 86.56 -102.98, 16.67 284.3, 76.87 -64.93, -6.56 in-in in 8.5969 Saltbr-in 2.6055 HRD-in -75.09, -41.25 66.67, 4.87 in-in-in SNCiii in-in ActLoopNT-in 2.9817 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -92.85, 168.81 APE9-dihe-na 83.21, 130.42 APE8-dihe-in -66.5, 151.79 APE8-rot-in 306.21 APE67-dihe-inflip 94.47, -29.15 -64.06, 143.12 APE12-dist-in 12.9743 APE11-dist-in 10.8793 APE10-dist-in 5.979 APE9-dist-in 3.017 None None None XRAY 2.9 0.208 0.238 B 442.0 358.0 0 27 27 0 [[56, 340]] 1.0 9hv3 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: A1IXN

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