Structure of PDB 3ru9 Chain D Binding Site BS01

Receptor Information
>3ru9 Chain D (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 chain3ru9 Chain D Residue 345 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ru9 Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase
Resolution2.21 Å
Binding residue
(original residue number in PDB)		H53 Q54 Y55
Binding residue
(residue number reindexed from 1)		H53 Q54 Y55
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:3ru9, PDBe:3ru9, PDBj:3ru9
PDBsum3ru9
PubMed
UniProtQ7BJX9|GNE_PLESH UDP-N-acetylglucosamine 4-epimerase (Gene Name=wbgU)

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