Structure of PDB 1iv3 Chain B Binding Site BS01

Receptor Information

>1iv3 Chain B (length=150) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RIGYGEDSHRLEEGRPLYLCGLLIPSPVGALAHSDGDAAMHALTDALLSA
YGLGDIGLLFPDTDPRWRGERSEVFLREAMRLVEARGAKLLQASLVLTLD
RPKLGPHRKALVDSLSRLMRLPQDRIGLTFKTSEGLAPSHVQARAVVLLD

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

1iv3 Chain B Residue 1562 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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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)	D208 H210 H242
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

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Molecular Function

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Biological Process

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)

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