Structure of PDB 3c5i Chain D Binding Site BS02

Receptor Information

>3c5i Chain D (length=355) Species: 5850 (Plasmodium knowlesi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LTDPLYIKKICLEKVPEWNHFTEDNLRVKQILLTNQLFEVGLKEETANNY
NSIRTRVLFRIYGKHVDELYNTISEFEVYKTMSKYKIAPQLLNTFNGGRI
EEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIF
KMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTI
VFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVS
SYPFFEIDKKKYISYENRKLFITAYLSNYLDKVVPTPKLIDEILEAVEVQ
ALGAHLLWGFWSIIRGYQTKSYNEFDFFLYAEQRLKMYDDQKEYLISNNI
IKGYD

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

3c5i Chain D Residue 371 [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	3c5i Crystal structure of Plasmodium knowlesi choline kinase, PKH_134520.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	E221 E254 I257
Binding residue (residue number reindexed from 1)	E209 E242 I245
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0004103	choline kinase activity
GO:0004305	ethanolamine kinase activity
GO:0046872	metal ion binding

	Biological Process
GO:0006646	phosphatidylethanolamine biosynthetic process
GO:0006656	phosphatidylcholine biosynthetic process
GO:0006657	CDP-choline pathway

	Cellular Component
GO:0005737	cytoplasm

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Cellular Component

External links

PDB	RCSB:3c5i, PDBe:3c5i, PDBj:3c5i
PDBsum	3c5i
PubMed
UniProt	D0VWT1

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