Structure of PDB 2r2d Chain E Binding Site BS04

Receptor Information
>2r2d Chain E (length=276) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGNKLFVLDLGEIRVDENFIIANSTFVTPQKPTVSSRLIDIPVSAYLIQC
TDATVLYDTGCHPECMGTNGRWPAQSQLNAPYIGASECNLPERLRQLGLS
PDDISTVVLSHLHNDHAGCVEYFGKSRLIAHEDEFATAVRYFATGDHSSP
YIVKDIEAWLATPRNWDLVGRDERERELAPGVNLLNFGTGHASGMLGLAV
RLEKQPGFLLVSDACYTATNYGPPARRAGVLHDTIGYDRTVSHIRQYAES
RSLTVLFGHDREQFASLIKSTDGFYE
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2r2d Chain E Residue 280 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2r2d Structure and specificity of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Q246 R251
Binding residue
(residue number reindexed from 1)		Q246 R251
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.81: quorum-quenching N-acyl-homoserine lactonase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0102007 acyl-L-homoserine-lactone lactonohydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:2r2d, PDBe:2r2d, PDBj:2r2d
PDBsum2r2d
PubMed17900178
UniProtA9CKY2|AHLLB_AGRFC N-acyl homoserine lactonase AiiB (Gene Name=aiiB)

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