Structure of PDB 6uaf Chain A Binding Site BS02

Receptor Information

>6uaf Chain A (length=267) Species: 522373 (Stenotrophomonas maltophilia K279a)

EAPLPQLRAYTVDASWLQPMAPLQVADHTWQIGTEDLTALLVQTAEGAVL
LDGGMPQMAGHLLDNMKLRGVAPQDLRLILLSHAHADHAGPVAELKRRTG
AHVAANAETAVLLARGGSNDLHFGDGITYPPASADRIIMDGEVVTVGGIA
FTAHFMPGHTPGSTAWTWTDTRDGKPVRIAYADSLSAPGYQLKGNPRYPR
LIEDYKRSFATVRALPCDLLLTPHPGASNWNYAVGSKASAEALTCNAYAD
AAEKKFDAQLARETAGT

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: 6uaf Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6uaf Crystal Structure of the Metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the Complex with Hydrolyzed Imipnem
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D109 H110 H246
• Binding residue (residue number reindexed from 1): D87 H88 H224
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H105 H107 D109 H110 H181 Y212 H246
• Catalytic site (residue number reindexed from 1): H83 H85 D87 H88 H159 Y190 H224
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0008800 beta-lactamase activity

Biological Process

• GO:0017001 antibiotic catabolic process

External links

• PDB: RCSB:6uaf, PDBe:6uaf, PDBj:6uaf
• PDBsum: 6uaf
• UniProt: B2FTM1