Structure of PDB 3t80 Chain F Binding Site BS02

Receptor Information

>3t80 Chain F (length=146) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium)

AMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALL
GAAALGDIGKLDSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIP
QMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIACEAVALLMK

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: 3t80 Chain F Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3t80 Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Salmonella typhimurium bound to cytidine
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): D8 H10
• Binding residue (residue number reindexed from 1): D9 H11
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.6.1.12: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase.

Gene Ontology

Molecular Function

• GO:0008685 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0016114 terpenoid biosynthetic process
• GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway

External links

• PDB: RCSB:3t80, PDBe:3t80, PDBj:3t80
• PDBsum: 3t80
• UniProt: Q8ZMF7|ISPF_SALTY 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)