Structure of PDB 3u2x Chain A Binding Site BS03

Receptor Information
>3u2x Chain A (length=263) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMTDQAFVTLTTNDAYAKGALVLGSSLKQHRTTRRLVVLATPQVSDSMRK
VLETVFDEVIMVDVLDSGDSAHLTLMKRPELGVTLTKLHCWSLTQYSKCV
FMDADTLVLANIDDLFDREELSAAPDPGWPDCFNSGVFVYQPSVETYNQL
LHLASEQGSFDGGDQGILNTFFSSWATTDIRKHLPFIYNLSSISIYSYLP
AFKVFGASAKVVHFLGRVKPWNYTYDPKTKSVKSEAHDPNMTHPEFLILW
WNIFTTNVLPLLQ
Ligand information
Ligand IDASO
InChIInChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKeyMPCAJMNYNOGXPB-SLPGGIOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341OC[CH]1OC[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)CO)O)O)O
ACDLabs 10.04OC1C(OCC(O)C1O)CO
FormulaC6 H12 O5
Name1,5-anhydro-D-glucitol;
1,5-ANHYDROSORBITOL
ChEMBLCHEMBL344637
DrugBank
ZINCZINC000004097377
PDB chain3u2x Chain A Residue 265 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3u2x Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese, UDP and 1'-deoxyglucose
Resolution1.77 Å
Binding residue
(original residue number in PDB)		T83 D102 S134 G135 D160 D163 Q164
Binding residue
(residue number reindexed from 1)		T84 D103 S135 G136 D161 D164 Q165
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.186: glycogenin glucosyltransferase.
Gene Ontology
Molecular Function
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:3u2x, PDBe:3u2x, PDBj:3u2x
PDBsum3u2x
PubMed
UniProtP46976|GLYG_HUMAN Glycogenin-1 (Gene Name=GYG1)

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