Structure of PDB 3hwp Chain B Binding Site BS01

Receptor Information
>3hwp Chain B (length=288) Species: 220664 (Pseudomonas protegens Pf-5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNMTPFTYFSLPMQKLFLRNQAAVRNKPYAKYFRSEMRVPLSAVRKIQQG
PMALEDTLTPSIEDINRLLEPDFVSEESGYALLPGPMAYVQSRKFFPGCT
AQMFKWWFIWHPAESERYTLWFPYAHVSNPCVHHQRLRDESLSFEERLYG
NTFCASEYVGDRLMHLHIDFQQPASLGLNTDLYREAKIDGSVSALMSLAD
HPEVPVSLMVHLFKEVPDGMYLTSRYWVGAHPSMARFPGAEKAASLLKEN
GFGEAELETLAYEFAVHDMCEFNHLASFLPDLYREFGT
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 chain3hwp Chain B Residue 295 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hwp Crystal Structure and Computational Analyses Provide Insights into the Catalytic Mechanism of 2,4-Diacetylphloroglucinol Hydrolase PhlG from Pseudomonas fluorescens.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H129 E160 H270 E274
Binding residue
(residue number reindexed from 1)		H126 E157 H267 E271
Annotation score1
Enzymatic activity
Enzyme Commision number 3.7.1.24: 2,4-diacetylphloroglucinol hydrolase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3hwp, PDBe:3hwp, PDBj:3hwp
PDBsum3hwp
PubMed20018877
UniProtQ4K423|PHLG_PSEF5 2,4-diacetylphloroglucinol hydrolase (Gene Name=phlG)

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