Structure of PDB 7phj Chain A Binding Site BS01

Receptor Information

>7phj Chain A (length=299) Species: 83333 (Escherichia coli K-12)

IKQRTLKRIVQATGVGLHTGKKVTLTLRPAPANTGVIYRRTDLNPPVDFP
ADAKSVRDTMLCTCLVNEHDVRISTVEHLNAALAGLGIDNIVIEVNAPEI
PIMDGSAAPFVYLLLDAGIDELNCAKKFVRIKETVRVEDGDKWAEFKPYN
GFSLDFTIDFNHPAIDSSNQRYAMNFSADAFMRQISRARTFGFMRDIEYL
QSRGLCLGGSFDCAIVVDDYRVLNEDGLRFEDEFVRHKMLDAIGDLFMCG
HNIIGAFTAYKSGHALNNKLLQAVLAKQEAWEYVTFQDDAELPLAFKAP

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: 7phj Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7phj LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
• Resolution: 2.45 Å
• Binding residue (original residue number in PDB): H79 H238 D242
• Binding residue (residue number reindexed from 1): H78 H237 D241
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.108: UDP-3-O-acyl-N-acetylglucosamine deacetylase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0019213 deacetylase activity
• GO:0046872 metal ion binding
• GO:0103117 UDP-3-O-acyl-N-acetylglucosamine deacetylase activity

Biological Process

• GO:0006796 phosphate-containing compound metabolic process
• GO:0009245 lipid A biosynthetic process
• GO:0019637 organophosphate metabolic process
• GO:1901135 carbohydrate derivative metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7phj, PDBe:7phj, PDBj:7phj
• PDBsum: 7phj
• UniProt: P0A725|LPXC_ECOLI UDP-3-O-acyl-N-acetylglucosamine deacetylase (Gene Name=lpxC)