Structure of PDB 3ieq Chain C Binding Site BS03

Receptor Information

>3ieq Chain C (length=148) Species: 28450 (Burkholderia pseudomallei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MDFRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDAL
FGAAALGDIGRHFDSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPH
IDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVR

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

3ieq Chain C Residue 163 [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	3ieq Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	D10 H12 H44
Binding residue (residue number reindexed from 1)	D10 H12 H44
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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Biological Process

External links

PDB	RCSB:3ieq, PDBe:3ieq, PDBj:3ieq
PDBsum	3ieq
PubMed	21359640
UniProt	Q3JRA0\|ISPF_BURP1 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)

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