Structure of PDB 8qnn Chain A Binding Site BS01

Receptor Information

>8qnn Chain A (length=259) Species: 135487 (Nocardia cyriacigeorgica)

ADPRFAALETTAGARLGVFAVNTGSERTVAHRADERFPMASTFKGLACGA
LLREHPLSTGYFDQVIHYSAEELVDYSPVTETRVESGMTVAELCHAAITA
SDNTAGNQLLKLLGGPQGFTAFLRSLGDDTSRLDRWETELNTAIPGDERD
TTTPAALAADYRALVVGDVLGEPERAQLTAWLVANTTGDTRIRAGLPEDW
TVGDKTGSPAYGSALDVAVTWPSGRAPIVIAVLSTKSEQDAEPDNRLVAD
ATRTVVDVL

Ligand information

• Ligand ID: FLC
• InChI: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
• InChIKey: KRKNYBCHXYNGOX-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
  OpenEye OEToolkits 1.5.0: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
  ACDLabs 10.04: O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
• Formula: C6 H5 O7
• Name: CITRATE ANION
• PDB chain: 8qnn Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8qnn Biochemical and structural characterization of a class A beta-lactamase from Nocardia cyriacigeorgica.
• Resolution: 1.25 Å
• Binding residue (original residue number in PDB): S114 S174 T279 G280 S281
• Binding residue (residue number reindexed from 1): S41 S101 T206 G207 S208
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0008800 beta-lactamase activity
• GO:0016787 hydrolase activity

Biological Process

• GO:0017001 antibiotic catabolic process
• GO:0030655 beta-lactam antibiotic catabolic process
• GO:0046677 response to antibiotic

External links

• PDB: RCSB:8qnn, PDBe:8qnn, PDBj:8qnn
• PDBsum: 8qnn
• PubMed: 38168018
• UniProt: A0A5R8NCK8