Structure of PDB 5zyb Chain A Binding Site BS02

Receptor Information

>5zyb Chain A (length=349) Species: 573 (Klebsiella pneumoniae)

DPLRPVVDASIQPLLKEHRIPGMAVAVLKDGKAHYFNYGVANRESGASVS
EQTLFEIGSVSKTLTATLGAYAVVKGAMQLDDKASRHAPWLKGSVFDSIT
MGELATYSAGGLPLQFPEEVDSSEKMRAYYRQWAPVYSPGSHRQYSNPSI
GLFGHLAASSLKQPFAQLMEQTLLPGLGMHHTYVNVPKQAMASYAYGYSK
EDKPIRVNPGMLADEAYGIKTSSADLLAFVKANIGGVDDKALQQAISLTH
KGHYSVGGMTQGLGWESYAYPVTEQTLLAGNSAKVILEANPTAAPRQVLF
NKTGSSNGFGAYVAFVPARGIGIVMLANRNYPIPARVKAAHAILAQLAG

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: 5zyb Chain A Residue 417

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5zyb Crystal structure of MOX-1 complexed with a boronic acid transition state inhibitor S02030
• Resolution: 2.13 Å
• Binding residue (original residue number in PDB): H187 D231
• Binding residue (residue number reindexed from 1): H181 D225
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S65 K68 Y151 E272 K312 S315
• Catalytic site (residue number reindexed from 1): S59 K62 Y145 E266 K302 S305
• 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:5zyb, PDBe:5zyb, PDBj:5zyb
• PDBsum: 5zyb
• UniProt: Q51578