Structure of PDB 8cr3 Chain A Binding Site BS02

Receptor Information

>8cr3 Chain A (length=298) Species: 208964 (Pseudomonas aeruginosa PAO1)

AEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSK
TTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKL
YMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQN
SGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYM
DQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEV
FVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCP

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 8cr3 Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8cr3 Facile Production of the Pseudomonas aeruginosa Virulence Factor LasB in Escherichia coli for Structure-Based Drug Design.
• Resolution: 1.12 Å
• Binding residue (original residue number in PDB): D136 E172 E175 D183 L185
• Binding residue (residue number reindexed from 1): D136 E172 E175 D183 L185
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.24.26: pseudolysin.

Gene Ontology

Molecular Function

• GO:0004175 endopeptidase activity
• GO:0004222 metalloendopeptidase activity
• GO:0008237 metallopeptidase 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
• GO:0044010 single-species biofilm formation
• GO:0071978 bacterial-type flagellum-dependent swarming motility

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:8cr3, PDBe:8cr3, PDBj:8cr3
• PDBsum: 8cr3
• PubMed: 37195753
• UniProt: P14756|ELAS_PSEAE Elastase (Gene Name=lasB)