Structure of PDB 3uw2 Chain A Binding Site BS01

Receptor Information
>3uw2 Chain A (length=458) Species: 271848 (Burkholderia thailandensis E264) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MISQSIFKAYDIRGVIGKTLDADVARSIGRAFGSEVRAQGGDAVVVARDG
RLSGPELVGALADGLRAAGVDVVDVGMVPTPVGYFAASVPLALSGGERRV
DSCIVVTGSHNPPDYNGFKMVLRGAAIYGDQIQGLYKRIVDARFETGSGS
YEQYDVADQYVERIVGDIKLTRPLKLVVDAGNGVAGPLATRLFKALGCEL
VELFTDIDGNFPNHHPDPAHPENLQDVIAKLKATDAEIGFAFDGDGDRLG
VVTKDGQIIYPDRQLMLFAEEVLSRNPGAQIIYDVKCTRNLARWVREKGG
EPLMWKTGHSLVKAKLRETGAPLAGEMSGHVFFKDRWYGFDDGLYTGARL
LEILARVADPSALLNGLPNAVSTPELQLNVKLIDKLRADAKFDGADEVVT
IDGLRVEYPDGFGLARSSNTTPVVVLRFEATSDAALARIQDDFRRALKAA
KPGANLPF
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 chain3uw2 Chain A Residue 474 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uw2 Combining functional and structural genomics to sample the essential Burkholderia structome.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D243 D245 D247
Binding residue
(residue number reindexed from 1)		D243 D245 D247
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R13 S109 H110 K119 D243 D245 D247 R248 H330
Catalytic site (residue number reindexed from 1) R13 S109 H110 K119 D243 D245 D247 R248 H330
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0016868 intramolecular phosphotransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3uw2, PDBe:3uw2, PDBj:3uw2
PDBsum3uw2
PubMed23382856
UniProtQ2SYG4

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