Structure of PDB 5cgx Chain A Binding Site BS02

Receptor Information

>5cgx Chain A (length=362) Species: 562 (Escherichia coli)

GHMSGEAPLTATVDGIIQPMLKAYRIPGMAVAVLKDGKAHYFNYGVANRE
SGQRVSEQTLFEIGSVSKTLTATLGAYAAVKGGFELDDKVSQHAPWLKGS
AFDGVTMAELATYSAGGLPLQFPDEVDSNDKMQTYYRSWSPVYPAGTHRQ
FSNPSIGLFGHLAANSLGQPFEQLMSQTLLPKLGLHHTYIQVPESAMANY
AYGYSKEDKPIRATPGVLAAEAYGIKTGSADLLKFVEANMGYQGDAALKS
AIALTHTGFHSVGEMTQGLGWESYDYPVTEQVLLAGNSPAVSFQANPVTR
FAVPKAMGEQRLYNKTGSTGGFGAYVAFVPARGIAIVMLANRNYPIEARV
KAAHAILSQLAE

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: 5cgx Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5cgx FOX-4 cephamycinase: an analysis of structure and function.
• Resolution: 1.21 Å
• Binding residue (original residue number in PDB): E5 H39
• Binding residue (residue number reindexed from 1): E6 H40
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S64 K67 F150 E271 K314 S317
• Catalytic site (residue number reindexed from 1): S65 K68 F151 E272 K315 S318
• 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:5cgx, PDBe:5cgx, PDBj:5cgx
• PDBsum: 5cgx
• PubMed: 26525784
• UniProt: Q9L387