Structure of PDB 1rk6 Chain A Binding Site BS01

Receptor Information

>1rk6 Chain A (length=474) Species: 511 (Alcaligenes faecalis)

PFDYILSGGTVIDGTNAPGRLADVGVRGDRIAAVGDLSASSARRRIDVAG
KVVSPGFIDSHTHDDNYLLKHRDMTPKISQGVTTVVTGNCGISLAPLAHA
NPPAPLDLLDEGGSFRFARFSDYLEALRAAPPAVNAACMVGHSTLRAAVM
PDLRREATADEIQAMQALADDALASGAIGISTGAFYPPAAHASTEEIIEV
CRPLITHGGVYATHMRDEGEHIVQALEETFRIGRELDVPVVISHHKVMGK
LNFGRSKETLALIEAAMASQDVSLDAYPYVAGSTMLKQDRVLLAGRTLIT
WCKPYPELSGRDLEEIAAERGKSKYDVVPELQPAGAIYFMMDEPDVQRIL
AFGPTMIGSDGLPHDERPHPRLWGTFPRVLGHYSRDLGLFPLETAVWKMT
GLTAAKFGLAERGQVQPGYYADLVVFDPATVADSATFEHPTERAAGIHSV
YVNGAAVWEDQSFTGQHAGRVLNR

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 1rk6 Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1rk6 The functional role of the binuclear metal center in D-aminoacylase: one-metal activation and second-metal attenuation.
• Resolution: 1.43 Å
• Binding residue (original residue number in PDB): C96 H220 H250
• Binding residue (residue number reindexed from 1): C90 H214 H244
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.81: N-acyl-D-amino-acid deacylase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
• GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
• GO:0046872 metal ion binding
• GO:0047420 N-acyl-D-amino-acid deacylase activity

External links

• PDB: RCSB:1rk6, PDBe:1rk6, PDBj:1rk6
• PDBsum: 1rk6
• PubMed: 14736882
• UniProt: Q9AGH8