Structure of PDB 4twr Chain A Binding Site BS02

Receptor Information
>4twr Chain A (length=325) Species: 359391 (Brucella abortus 2308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANNVLVVGGAGFIGSHTAKLLAGQGYAPVVYDNLSTGHQSAVRWGDFVEG
DILDQARLVETMEKYAPVAVIHFAASAYVGESVEDPAKYYRNNVGGTQSL
LDACRLTRTQNVIFSSSCATYGVPSRLPIGEGEAQNPINPYGRTKLIAEH
MLADYAVAYGLRYVALRYFNASGADIDGELGEKHDPETHLIPRAMMAAAG
RLDVLEVYGDDYETPDGTCIRDYIHVTDLARAHVLAVEHLKEAGGNLAVN
LGTGRGTSIREIVQSIGRLTGRSVPVAMRARRAGDPPALYADPALAAEKL
GFHTVYSDLDTIIRTAAPHFGLEVR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4twr Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4twr Structure of UDP-glucose 4-epimerase from Brucella melitensis
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E184 H186 E189 H191
Binding residue
(residue number reindexed from 1)		E182 H184 E187 H189
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S119 C120 A121 Y143 K147 H186 H191
Catalytic site (residue number reindexed from 1) S117 C118 A119 Y141 K145 H184 H189
Enzyme Commision number 5.1.3.2: UDP-glucose 4-epimerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003978 UDP-glucose 4-epimerase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006012 galactose metabolic process
GO:0033499 galactose catabolic process via UDP-galactose
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:4twr, PDBe:4twr, PDBj:4twr
PDBsum4twr
PubMed
UniProtQ2YKG6

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