Structure of PDB 4bp0 Chain D Binding Site BS01

Receptor Information

>4bp0 Chain D (length=244) Species: 287 (Pseudomonas aeruginosa)

SDHVDLPYNLTATKIDSDVFVVTDRDFYSSNVLVAKMLDGTVVIVSSPFE
NLGTQTLMDWVAKTMKPKKVVAINTHFHLDGTGGNEIYKKMGAETWSSDL
TKQLRLEENKKDRIKAAEFYKNEDLKRRILSSHPVPADNVFDLKQGKVFS
FSNELVEVSFPGPAHSPDNVVVYFPKKKLLFGGCMIKPKELGYLGDANVK
AWPDSARRLKKFDAKIVIPGHGEWGGPEMVNKTIKVAEKAVGEM

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: 4bp0 Chain D Residue 1310

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bp0 Studying the active-site loop movement of the Sao Paolo metallo-beta-lactamase-1
• Resolution: 2.24 Å
• Binding residue (original residue number in PDB): H108 H110 H197
• Binding residue (residue number reindexed from 1): H76 H78 H165
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H108 H110 D112 H197 C216 K219 Y228 H258
• Catalytic site (residue number reindexed from 1): H76 H78 D80 H165 C184 K187 Y193 H221
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0008800 beta-lactamase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0017001 antibiotic catabolic process
• GO:0046677 response to antibiotic

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:4bp0, PDBe:4bp0, PDBj:4bp0
• PDBsum: 4bp0
• PubMed: 25717359
• UniProt: Q8G9Q0