Structure of PDB 1iv3 Chain D Binding Site BS01

Receptor Information

>1iv3 Chain D (length=150) Species: 274 (Thermus thermophilus)

RIGYGEDSHRLEEGRPLYLCGLLIPSPVGALAHSDGDAAMHALTDALLSA
YGLGDIGLLFPDTDPRWRGERSEVFLREAMRLVEARGAKLLQASLVLTLD
RPKLGPHRKALVDSLSRLMRLPQDRIGLTFKTSEGLAPSHVQARAVVLLD

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 1iv3 Chain D Residue 1564

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1iv3 Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis.
• Resolution: 1.52 Å
• Binding residue (original residue number in PDB): D1008 H1010 H1042
• Binding residue (residue number reindexed from 1): D7 H9 H41
• 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:1iv3, PDBe:1iv3, PDBj:1iv3
• PDBsum: 1iv3
• PubMed: 12499535
• UniProt: Q8RQP5|ISPF_THET8 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)