Structure of PDB 8s65 Chain A Binding Site BS02

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 IDFOM
InChIInChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
InChIKeyGJXWDTUCERCKIX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)CCCN(O)C=O
OpenEye OEToolkits 1.5.0C(CN(C=O)O)CP(=O)(O)O
CACTVS 3.341ON(CCC[P](O)(O)=O)C=O
FormulaC4 H10 N O5 P
Name3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID;
FOSMIDOMYCIN
ChEMBLCHEMBL203125
DrugBankDB02948
ZINCZINC000012502867
PDB chain8s65 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8s65 1-Deoxy-d-xylulose 5-phosphate reductoisomerase as target for anti Toxoplasma gondii agents: crystal structure, biochemical characterization and biological evaluation of inhibitors.
Resolution2.56 Å
Binding residue
(original residue number in PDB)		S230 E231 S257 H280 W283 S293 N298 K299
Binding residue
(residue number reindexed from 1)		S168 E169 S195 H218 W221 S231 N236 K237
Annotation score1
External links