Structure of PDB 2r2d Chain A Binding Site BS03

Receptor Information
>2r2d Chain A (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 A Residue 279 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2r2d Structure and specificity of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H113 N114 D115 H116 D213 Y216
Binding residue
(residue number reindexed from 1)		H113 N114 D115 H116 D213 Y216
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)

[Back to BioLiP]