Structure of PDB 1jn1 Chain B Binding Site BS01

Receptor Information

>1jn1 Chain B (length=157) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MIRIGHGFDVHAFGEDRPLIIGGVEVPYHTGFIAHSDGDVALHALTDAIL
GAAALGDIGKLFPDTDMQYKNADSRGLLREAFRQVQEKGYKIGNVDITII
AQAPKMRPHIDAMRAKIAEDLQCDIEQVNVKATTTEKLGFTGRQEGIACE
AVALLIR

Ligand information

Ligand ID

InChI

InChI=1S/Co/q+2

InChIKey

XLJKHNWPARRRJB-UHFFFAOYSA-N

SMILES

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

Formula

Name

COBALT (II) ION

PDB chain

1jn1 Chain B 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	1jn1 Structure of 2C-methyl-D-erythrol-2,4-cyclodiphosphate synthase from Haemophilus influenzae: activation by conformational transition.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	D9 H11 H35 H43
Binding residue (residue number reindexed from 1)	D9 H11 H35 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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Biological Process

External links

PDB	RCSB:1jn1, PDBe:1jn1, PDBj:1jn1
PDBsum	1jn1
PubMed	12211023
UniProt	P44815\|ISPF_HAEIN 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)

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