Structure of PDB 3w8k Chain A Binding Site BS03

Receptor Information

>3w8k Chain A (length=347) Species: 573 (Klebsiella pneumoniae)

DPLRPVVDASIQPLLKEHRIPGMAVAVLKDGKAHYFNYGVANRESGASVS
EQTLFEIGSVSKTLTATLGAYAVVKGAMQLDDKASRHAPWLKGSVFDSIT
MGELATYSAGGLPLQFPEEVDSSEKMRAYYRQWAPVYSPGSHRQYSNPSI
GLFGHLAASSLKQPFAQLMEQTLLPGLGMHHTYVNVPKQAMASYAYGYSK
EDKPIRVGMLADEAYGIKTSSADLLAFVKANIGGVDDKALQQAISLTHKG
HYSVGGMTQGLGWESYAYPVTEQTLLAGNSAKVILEANPTAAPRQVLFNK
TGSSNGFGAYVAFVPARGIGIVMLANRNYPIPARVKAAHAILAQLAG

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: 3w8k Chain A Residue 1011

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3w8k Crystal structure of Mox-1, a unique plasmid-mediated class C beta-lactamase with hydrolytic activity towards moxalactam
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): D7 H40
• Binding residue (residue number reindexed from 1): D1 H34
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S65 K68 M107 E109 F122 Y151 G157 E272 K312 S315
• Catalytic site (residue number reindexed from 1): S59 K62 M101 E103 F116 Y145 G151 E264 K300 S303
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• 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:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:3w8k, PDBe:3w8k, PDBj:3w8k
• PDBsum: 3w8k
• PubMed: 24777102
• UniProt: Q51578