Ligand: 3UP

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% 5F95A
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 5F95A P49841 36 383 420.0 3UP:401 Type1 Active DFGin 6.8507 14.1212 BLAminus -131.03, -172.49 54.11, 85.8 -99.54, 23.42 287.04, 73.17 -58.21, -30.13 in-in in 8.4923 Saltbr-in 2.6419 HRD-in -68.05, -46.73 71.39, 6.88 in-in-in SNCiii in-in ActLoopNT-in 2.8734 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -87.52, 167.77 APE9-dihe-na 81.86, 152.62 APE8-dihe-in -108.33, 161.23 APE8-rot-in 296.59 APE67-dihe-in -81.75, 2.56 -4.13, -93.98 APE12-dist-in 13.0998 APE11-dist-in 11.0871 APE10-dist-in 6.3777 APE9-dist-in 3.2624 None None None XRAY 2.525 0.204 0.242 A 350.0 345.0 3 27 27 0 [[56, 340]] 1.0 5f95 CMGC_GSK3B_HUMAN CMGC 1.8e-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
CMGC GSK3B GSK3B_HUMAN 5F95B P49841 36 385 420.0 3UP:401 Type1 Active DFGin 7.0295 14.1311 BLAminus -130.15, -170.55 52.93, 82.9 -96.95, 23.47 283.9, 71.07 -57.67, -29.42 in-in in 8.5241 Saltbr-in 2.2415 HRD-in -68.94, -45.23 69.65, 6.25 in-in-in SNCiii in-in ActLoopNT-in 3.0094 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -89.14, 169.18 APE9-dihe-na 82.46, 143.88 APE8-dihe-in -96.17, 168.5 APE8-rot-in 296.7 APE67-dihe-in -78.34, 2.06 -36.18, -73.12 APE12-dist-in 13.0212 APE11-dist-in 11.0271 APE10-dist-in 6.0921 APE9-dist-in 3.2102 None None None XRAY 2.525 0.204 0.242 B 350.0 338.0 12 27 27 0 [[56, 340]] 1.0 5f95 CMGC_GSK3B_HUMAN CMGC 1.8e-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: 3UP

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% 5F95A
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 5F95A P49841 36 383 420.0 3UP:401 Type1 Active DFGin 6.8507 14.1212 BLAminus -131.03, -172.49 54.11, 85.8 -99.54, 23.42 287.04, 73.17 -58.21, -30.13 in-in in 8.4923 Saltbr-in 2.6419 HRD-in -68.05, -46.73 71.39, 6.88 in-in-in SNCiii in-in ActLoopNT-in 2.8734 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -87.52, 167.77 APE9-dihe-na 81.86, 152.62 APE8-dihe-in -108.33, 161.23 APE8-rot-in 296.59 APE67-dihe-in -81.75, 2.56 -4.13, -93.98 APE12-dist-in 13.0998 APE11-dist-in 11.0871 APE10-dist-in 6.3777 APE9-dist-in 3.2624 None None None XRAY 2.525 0.204 0.242 A 350.0 345.0 3 27 27 0 [[56, 340]] 1.0 5f95 Homo sapiens CMGC_GSK3B_HUMAN CMGC 1.8e-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
CMGC GSK3B GSK3B_HUMAN 5F95B P49841 36 385 420.0 3UP:401 Type1 Active DFGin 7.0295 14.1311 BLAminus -130.15, -170.55 52.93, 82.9 -96.95, 23.47 283.9, 71.07 -57.67, -29.42 in-in in 8.5241 Saltbr-in 2.2415 HRD-in -68.94, -45.23 69.65, 6.25 in-in-in SNCiii in-in ActLoopNT-in 3.0094 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -89.14, 169.18 APE9-dihe-na 82.46, 143.88 APE8-dihe-in -96.17, 168.5 APE8-rot-in 296.7 APE67-dihe-in -78.34, 2.06 -36.18, -73.12 APE12-dist-in 13.0212 APE11-dist-in 11.0271 APE10-dist-in 6.0921 APE9-dist-in 3.2102 None None None XRAY 2.525 0.204 0.242 B 350.0 338.0 12 27 27 0 [[56, 340]] 1.0 5f95 Homo sapiens CMGC_GSK3B_HUMAN CMGC 1.8e-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: 3UP

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