Structure of PDB 3guh Chain A Binding Site BS03

Receptor Information
>3guh Chain A (length=477) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQVLHVCSEMFPLLKTGGLADVIGALPAAQIADGVDARVLLPAFPDIRRG
VTDAQVVSRRDTFAGHITLLFGHYNGVGIYLIDAPHLYDRPGSPYHDTNL
FAYTDNVLRFALLGWVGAEMASGLDPFWRPDVVHAHDWHAGLAPAYLAAR
GRPAKSVFTVHNLAYQGMFYAHHMNDIQLPWSFFNIHGLEFNGQISFLKA
GLYYADHITAVSPTYAREITEPQFAYGMEGLLQQRHREGRLSGVLNGVDE
KIWSPETDLLLASRYTRDTLEDKAENKRQLQIAMGLKVDDKVPLFAVVSR
LTSQKGLDLVLEALPGLLEQGGQLALLGAGDPVLQEGFLAAAAEYPGQVG
VQIGYHEAFSHRIMGGADVILVPSRFEPCGLTQLYGLKYGTLPLVRRTGG
LADTVSDCSLENLADGVASGFVFEDSNAWSLLRAIRRAFVLWSRPSLWRF
VQRQAMAMDFSWQVAAKSYRELYYRLK
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 chain3guh Chain A Residue 488 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3guh The Crystal Structures of the Open and Catalytically Competent Closed Conformation of Escherichia coli Glycogen Synthase.
Resolution2.79 Å
Binding residue
(original residue number in PDB)		G18 H161 V211 N246 E377 P378 C379 G380
Binding residue
(residue number reindexed from 1)		G18 H161 V211 N246 E377 P378 C379 G380
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.21: starch synthase.
Gene Ontology
Molecular Function
GO:0004373 alpha-1,4-glucan glucosyltransferase (UDP-glucose donor) activity
GO:0009011 alpha-1,4-glucan glucosyltransferase (ADP-glucose donor) activity
GO:0016757 glycosyltransferase activity
Biological Process
GO:0005978 glycogen biosynthetic process
GO:0006974 DNA damage response
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3guh, PDBe:3guh, PDBj:3guh
PDBsum3guh
PubMed19244233
UniProtP0A6U8|GLGA_ECOLI Glycogen synthase (Gene Name=glgA)

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