Structure of PDB 1t0a Chain C Binding Site BS02

Receptor Information

>1t0a Chain C (length=158) Species: 211586 (Shewanella oneidensis MR-1)

KIRIGHGFDVHKFGEPRPLILCGVEVPYETGLVAHSDGDVVLHAISDAIL
GAMALGDIGKHFPDTDAAYKGADSRVLLRHCYALAKAKGFELGNLDVTII
AQAPKMAPHIEDMRQVLAADLNADVADINVKATTTEKLGFTGRKEGIAVE
AVVLLSRQ

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: 1t0a Chain C Residue 860

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1t0a Structure of 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase from Shewanella oneidensis at 1.6 A: identification of farnesyl pyrophosphate trapped in a hydrophobic cavity.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): D10 H12 H44
• Binding residue (residue number reindexed from 1): D9 H11 H43
• 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:1t0a, PDBe:1t0a, PDBj:1t0a
• PDBsum: 1t0a
• PubMed: 15502301
• UniProt: Q8EBR3|ISPF_SHEON 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)