Structure of PDB 1zkj Chain A Binding Site BS01

Receptor Information

>1zkj Chain A (length=350) Species: 548 (Klebsiella aerogenes)

DPLRPVVDASIQPLLKEHRIPGMAVAVLKDGKAHYFNYGVANRESGAGVS
EQTLFEIGSVSKTLTATLGAYAVVKGAMQLDDKASRHAPWLKGSAFDSIT
MGELATYSAGGLPLQFPEEVDSSEKMRAYYRQWAPVYSPGSHRQYSNPSI
GLFGHLAASSLKQPFAPLMEQTLLPGLGMHHTYVNVPKQAMASYAYGYSK
EDKPIRVNPGMLADEAYGIKTSSADLLRFVKANIGGVDDKALQQAISLTH
QGHYSVGGMTQGLGWESYAYPVTEQTLLAGNSAKVILEANPTAAPREQVL
FNKTGSTNGFGAYVAFVPARGIGIVMLANRNYPIEARIKAAHAILAQLAG

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: 1zkj Chain A Residue 506

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1zkj Structural basis for the extended substrate spectrum of CMY-10, a plasmid-encoded class C beta-lactamase.
• Resolution: 1.55 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 E266 K303 S306
• Enzyme Commision number: 3.5.2.6: beta-lactamase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide 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:0030288 outer membrane-bounded periplasmic space

External links

• PDB: RCSB:1zkj, PDBe:1zkj, PDBj:1zkj
• PDBsum: 1zkj
• PubMed: 16677302
• UniProt: Q99QC1