Structure of PDB 8acr Chain A Binding Site BS01

Receptor Information

>8acr Chain A (length=486) Species: 287 (Pseudomonas aeruginosa)

WTPGKPNPSICKSPLLVSTPLGLPRCLQASNVVKRLQKLEDIASLNDGNR
AAATPGYQASVDYVKQTLQKAGYKVSVQPFPFTAYYPKGPGSLSATVPQP
VTYEWEKDFTYLSQTEAGDVTAKVVPVDLSLGAGNTSTSGCEAEDFANFP
AGSIALIQRGTCNFEQKAENAAAAGAAGVIIFNQGNTDDRKGLENVTVGE
SYEGGIPVIFATYDNGVAWSQTPDLQLHLVVDVVRKKTETYNVVAETRRG
NPNNVVMVGAHLDSVFEGPGINDNGSGSAAQLEMAVLLAKALPVNKVRFA
WWGAAEAGLVGSTHYVQNLAPEEKKKIKAYLNFDMIGSPNFGNFIYDGDG
SDFGLQGPPGSAAIERLFEAYFRLRGQQSEGTEIDFRSDYAEFFNSGIAF
GGLFTGAEGLKTEEQAQKYGGTAGKAYDECYHSKCDGIANINQDALEIHS
DAMAFVTSWLSLSTKVVDDEIAAAGQIERWGHDFIK

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: 8acr Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8acr An anti-biofilm cyclic peptide targets a secreted aminopeptidase from P. aeruginosa.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D308 E341 H467
• Binding residue (residue number reindexed from 1): D273 E306 H432
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.11.1: leucyl aminopeptidase.

Gene Ontology

Molecular Function

• GO:0004177 aminopeptidase activity
• GO:0008235 metalloexopeptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0015628 protein secretion by the type II secretion system
• GO:0043952 protein transport by the Sec complex

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:8acr, PDBe:8acr, PDBj:8acr
• PDBsum: 8acr
• PubMed: 37386135
• UniProt: Q9HZQ8|LAP_PSEAE Aminopeptidase (Gene Name=lap)