Structure of PDB 4gbd Chain A Binding Site BS04

Receptor Information

>4gbd Chain A (length=435) Species: 208964 (Pseudomonas aeruginosa PAO1)

NPFDLLLLPTWIVPVEPAGVVLRDHALGIRDGQIALVAPREQAMRHGATE
IRELPGMLLAPGLVNAHGHSAMSLFRGLADDLPLMTWLQDHIWPAEGQWV
SEDFIRDGTELAIAEQVKGGITCFSDMYFYPQAICGVVHDSGVRAQVAIP
VLDFPIPGARDSAEAIRQGMALFDDLKHHPRIRIAFGPHAPYTVSDDKLE
QILVLTEELDASIQMHVHETAFEVEQAMERNGERPLARLHRLGLLGPRFQ
AVHMTQVDNDDLAMLVETNSSVIHCPESNLKLASGFCPVEKLWQAGVNVA
IGTDGAASNNDLDLLGETRTAALLAKAVYGQATALDAHRALRMATLNGAR
ALGLERLIGSLEAGKAADLVAFDLSGLAQQPVYDPVSQLIYASGRDCVRH
VWVGGRQLLDDGRLLRHDEQRLIARAREWGAKIAA

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: 4gbd Chain A Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gbd Methylthioadenosine deaminase in an alternative quorum sensing pathway in Pseudomonas aeruginosa.
• Resolution: 1.975 Å
• Binding residue (original residue number in PDB): Q384 G399 D401
• Binding residue (residue number reindexed from 1): Q379 G394 D396
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004000 adenosine deaminase activity
• GO:0016787 hydrolase activity
• GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
• GO:0046872 metal ion binding
• GO:0090614 5'-methylthioadenosine deaminase activity

External links

• PDB: RCSB:4gbd, PDBe:4gbd, PDBj:4gbd
• PDBsum: 4gbd
• PubMed: 23050701
• UniProt: Q9HZ64