Structure of PDB 2r2d Chain D Binding Site BS03

Receptor Information

>2r2d Chain D (length=276) Species: 176299 (Agrobacterium fabrum str. C58)

MGNKLFVLDLGEIRVDENFIIANSTFVTPQKPTVSSRLIDIPVSAYLIQC
TDATVLYDTGCHPECMGTNGRWPAQSQLNAPYIGASECNLPERLRQLGLS
PDDISTVVLSHLHNDHAGCVEYFGKSRLIAHEDEFATAVRYFATGDHSSP
YIVKDIEAWLATPRNWDLVGRDERERELAPGVNLLNFGTGHASGMLGLAV
RLEKQPGFLLVSDACYTATNYGPPARRAGVLHDTIGYDRTVSHIRQYAES
RSLTVLFGHDREQFASLIKSTDGFYE

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  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-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 2r2d Chain D Residue 279

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2r2d Structure and specificity of a quorum-quenching lactonase (AiiB) from Agrobacterium tumefaciens.
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): H113 N114 D115 H116 H191 D213 Y216
• Binding residue (residue number reindexed from 1): H113 N114 D115 H116 H191 D213 Y216
• Annotation score: 1

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

External links

• PDB: RCSB:2r2d, PDBe:2r2d, PDBj:2r2d
• PDBsum: 2r2d
• PubMed: 17900178
• UniProt: A9CKY2|AHLLB_AGRFC N-acyl homoserine lactonase AiiB (Gene Name=aiiB)