Structure of PDB 5iwy Chain F Binding Site BS02

Receptor Information

>5iwy Chain F (length=158) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MFRIGQGFDVHQLVEGRPLIIGGIEIPYEKGLLGHSDADVLLHTVADACL
GAVGEGDIGKHFPDTDPEFKDADSFKLLQHVWGIVKQKGYVLGNIDCTII
AQKPKMLPYIEDMRKRIAEGLEADVSQVNVKATTTEKLGFTGRAEGIAAQ
ATVLIQKG

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

5iwy Chain F Residue 202 [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	5iwy Crystal structure of IspF from Bacillus subtilis and absence of protein complex assembly among IspD/IspE/IspF enzymes in the MEP pathway.
Resolution	1.99 Å
Binding residue (original residue number in PDB)	D9 H11 H43
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

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Molecular Function

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Biological Process

External links

PDB	RCSB:5iwy, PDBe:5iwy, PDBj:5iwy
PDBsum	5iwy
PubMed	29335298
UniProt	Q06756\|ISPF_BACSU 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)

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