Structure of PDB 3lu1 Chain B Binding Site BS03

Receptor Information
>3lu1 Chain B (length=334) Species: 703 (Plesiomonas shigelloides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRYEEITQQLIFSPKTWLITGVAGFIGSNLLEKLLKLNQVVIGLDNFSTG
HQYNLDEVKTLVSTEQWSRFCFIEGDIRDLTTCEQVMKGVDHVLHQAALG
SVPRSIVDPITTNATNITGFLNILHAAKNAQVQSFTYAASSSTYGDHPAL
PKVEENIGNPLSPYAVTKYVNEIYAQVYARTYGFKTIGLRYFNVFGRRQD
PNGAYAAVIPKWTAAMLKGDDVYINGDGETSRDFCYIDNVIQMNILSALA
KDSAKDNIYNVAVGDRTTLNELSGYIYDELNLIHHIKYREFRSGDVRHSQ
ADVTKAIDLLKYRPNIKIREGLRLSMPWYVRFLK
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 chain3lu1 Chain B Residue 345 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lu1 Altered architecture of substrate binding region defines the unique specificity of UDP-GalNAc 4-epimerases.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D254 S255
Binding residue
(residue number reindexed from 1)		D252 S253
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S142 S143 S144 Y166 K170 N204
Catalytic site (residue number reindexed from 1) S140 S141 S142 Y164 K168 N202
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:3lu1, PDBe:3lu1, PDBj:3lu1
PDBsum3lu1
PubMed21384454
UniProtQ7BJX9|GNE_PLESH UDP-N-acetylglucosamine 4-epimerase (Gene Name=wbgU)

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