Ligand: 65C (Laduviglusib)

Total number of chains: 3
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5HLNB
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 6B8JA P49841 37 384 420.0 65C:502 Type1 Active DFGin 6.8683 13.9089 BLAminus -142.04, -175.4 56.86, 72.8 -87.54, 21.75 287.01, 61.58 -69.77, -16.08 in-in in 8.5074 Saltbr-in 2.3182 HRD-in -66.49, -42.97 62.67, 20.6 in-in-in SNCiii in-in ActLoopNT-in 2.8209 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.37, 166.1 APE9-dihe-na 69.29, 116.74 APE8-dihe-in -38.51, 137.94 APE8-rot-in 299.43 APE67-dihe-in -65.74, -24.52 -56.45, -42.14 APE12-dist-in 13.6847 APE11-dist-in 11.734 APE10-dist-in 7.0179 APE9-dist-in 3.3258 None PTR216 PTR216 XRAY 2.595 0.215 0.247 A 420.0 345.0 3 27 27 0 [[56, 340]] 1.0 6b8j CMGC_GSK3B_HUMAN CMGC 3.2e-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 5HLNA P49841 34 384 420.0 65C:501 Type1 Active DFGin 6.9714 13.5391 BLAminus -145.82, 177.83 61.52, 84.96 -98.63, 20.2 288.24, 74.65 -61.35, -16.22 in-in in 8.64 Saltbr-in 2.9698 HRD-in -72.97, -42.53 59.11, 33.41 in-in-in SNCiii in-in ActLoopNT-in 2.9659 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.08, -68.13 APE9-dihe-na -70.88, 179.27 APE8-dihe-in -73.41, 154.88 APE8-rot-in 283.39 APE67-dihe-in -59.67, -27.13 -52.94, -57.58 APE12-dist-in 13.1086 APE11-dist-in 11.7674 APE10-dist-in 7.2143 APE9-dist-in 3.907 None PTR216 PTR216 XRAY 3.1 0.173 0.236 A 424.0 347.0 4 27 27 0 [[56, 340]] 1.0 5hln 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 5HLNB P49841 37 383 420.0 65C:501 Type1 Inactive DFGin 6.8475 13.3316 BLAminus -143.06, -174.61 53.09, 90.34 -103.45, 33.01 288.97, 83.64 -74.69, -34.84 in-in in 8.9958 Saltbr-in 2.6044 HRD-in -68.15, -40.04 65.1, 19.28 in-in-out SNCiio in-out ActLoopNT-in 2.9629 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -137.65, -62.86 APE9-dihe-na -78.36, 171.11 APE8-dihe-in -56.52, 151.93 APE8-rot-out 161.85 APE67-dihe-in -56.43, -28.42 -72.24, -45.62 APE12-dist-in 13.5983 APE11-dist-in 11.8341 APE10-dist-in 7.3737 APE9-dist-in 3.4156 None PTR216 PTR216 XRAY 3.1 0.173 0.236 B 424.0 347.0 0 27 27 0 [[56, 340]] 1.0 5hln 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: 65C (Laduviglusib)

Total number of chains: 3
Active chains: 2
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 100.0% 5HLNB
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 6B8JA P49841 37 384 420.0 65C:502 Type1 Active DFGin 6.8683 13.9089 BLAminus -142.04, -175.4 56.86, 72.8 -87.54, 21.75 287.01, 61.58 -69.77, -16.08 in-in in 8.5074 Saltbr-in 2.3182 HRD-in -66.49, -42.97 62.67, 20.6 in-in-in SNCiii in-in ActLoopNT-in 2.8209 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -155.37, 166.1 APE9-dihe-na 69.29, 116.74 APE8-dihe-in -38.51, 137.94 APE8-rot-in 299.43 APE67-dihe-in -65.74, -24.52 -56.45, -42.14 APE12-dist-in 13.6847 APE11-dist-in 11.734 APE10-dist-in 7.0179 APE9-dist-in 3.3258 None PTR216 PTR216 XRAY 2.595 0.215 0.247 A 420.0 345.0 3 27 27 0 [[56, 340]] 1.0 6b8j Homo sapiens CMGC_GSK3B_HUMAN CMGC 3.2e-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 5HLNA P49841 34 384 420.0 65C:501 Type1 Active DFGin 6.9714 13.5391 BLAminus -145.82, 177.83 61.52, 84.96 -98.63, 20.2 288.24, 74.65 -61.35, -16.22 in-in in 8.64 Saltbr-in 2.9698 HRD-in -72.97, -42.53 59.11, 33.41 in-in-in SNCiii in-in ActLoopNT-in 2.9659 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -129.08, -68.13 APE9-dihe-na -70.88, 179.27 APE8-dihe-in -73.41, 154.88 APE8-rot-in 283.39 APE67-dihe-in -59.67, -27.13 -52.94, -57.58 APE12-dist-in 13.1086 APE11-dist-in 11.7674 APE10-dist-in 7.2143 APE9-dist-in 3.907 None PTR216 PTR216 XRAY 3.1 0.173 0.236 A 424.0 347.0 4 27 27 0 [[56, 340]] 1.0 5hln 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 5HLNB P49841 37 383 420.0 65C:501 Type1 Inactive DFGin 6.8475 13.3316 BLAminus -143.06, -174.61 53.09, 90.34 -103.45, 33.01 288.97, 83.64 -74.69, -34.84 in-in in 8.9958 Saltbr-in 2.6044 HRD-in -68.15, -40.04 65.1, 19.28 in-in-out SNCiio in-out ActLoopNT-in 2.9629 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -137.65, -62.86 APE9-dihe-na -78.36, 171.11 APE8-dihe-in -56.52, 151.93 APE8-rot-out 161.85 APE67-dihe-in -56.43, -28.42 -72.24, -45.62 APE12-dist-in 13.5983 APE11-dist-in 11.8341 APE10-dist-in 7.3737 APE9-dist-in 3.4156 None PTR216 PTR216 XRAY 3.1 0.173 0.236 B 424.0 347.0 0 27 27 0 [[56, 340]] 1.0 5hln 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: 65C (Laduviglusib)

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