Structure of PDB 3ru7 Chain A Binding Site BS02

Receptor Information
>3ru7 Chain A (length=336) Species: 703 (Plesiomonas shigelloides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YMSRYEEITQQLIFSPKTWLITGVAGFIGSNLLEKLLKLNQVVIGLDNFS
TGHQYNLDEVKTLVSTEQWSRFCFIEGDIRDLTTCEQVMKGVDHVLHQAA
LGSVPRSIVDPITTNATNITGFLNILHAAKNAQVQSFTYAASSSTYGDHP
ALPKVEENIGNPLSPYAVTKYVNEIYAQVYARTYGFKTIGLRYFNVFGRR
QDPNGAYAAVIPKWTAAMLKGDDVYINGDGETSRDFCYIDNVIQMNILSA
LAKDSAKDNIYNVAVGDRTTLNELSGYIYDELNLIHHIKYREFRSGDVRH
SQADVTKAIDLLKYRPNIKIREGLRLSMPWYVRFLK
Ligand information
Ligand IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain3ru7 Chain A Residue 353 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ru7 Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Q135 K187 K257
Binding residue
(residue number reindexed from 1)		Q135 K187 K257
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S142 S143 S144 Y166 K170 N204
Catalytic site (residue number reindexed from 1) S142 S143 S144 Y166 K170 N204
Enzyme Commision number 5.1.3.7: UDP-N-acetylglucosamine 4-epimerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003974 UDP-N-acetylglucosamine 4-epimerase activity
GO:0016853 isomerase activity
Biological Process
GO:0009243 O antigen biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3ru7, PDBe:3ru7, PDBj:3ru7
PDBsum3ru7
PubMed
UniProtQ7BJX9|GNE_PLESH UDP-N-acetylglucosamine 4-epimerase (Gene Name=wbgU)

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