Structure of PDB 8s65 Chain A Binding Site BS03

Receptor Information

>8s65 Chain A (length=410) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RVKRLVVLGSTGSIGKSTLEIAREFPDIFQIVGLAAGGSNLALLAEQVAA
FRPQYVYLGDSSKVAELQERLNDHERSAAFPRPRLLLGDEGLAELACVPN
YDILVSAIVGFKGVLPTLKALEAGKDVALANKEALVAAGPVFRCLLSTRG
LLYGDQERKCGLLLPVDSEHSAIFQALQGVPASCYPPRKLLLTASGGPFR
GRTRDELEQVTLESALKHPKWSMGAKITIDSATLMNKGLEVIEAHFAFGC
PYSSIEVLVHPQAVIHSAVELRDGATLAQLGLPDMKLPIAYALTWPHRLA
APWSAGVDLTREGNLTFEKPDLNTFGCLGLAYEAGERGGVAPACLNAANE
VAVERFRNKEIGFVDIEDTVRHVMALQERERDNFSDVSLQDVFDADHWAR
TAARAFKPRK

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

8s65 Chain A Residue 504 [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	8s65 1-Deoxy-d-xylulose 5-phosphate reductoisomerase as target for anti Toxoplasma gondii agents: crystal structure, biochemical characterization and biological evaluation of inhibitors.
Resolution	2.56 Å
Binding residue (original residue number in PDB)	I55 F75 R76
Binding residue (residue number reindexed from 1)	I31 F51 R52
Annotation score	1

External links

PDB	RCSB:8s65, PDBe:8s65, PDBj:8s65
PDBsum	8s65
PubMed	39105673
UniProt	S8ESX0

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