Structure of PDB 7pvf Chain A Binding Site BS01

Receptor Information
>7pvf Chain A (length=132) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETKLFKGQ
VVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIYAW
LKRAGKFKATQRTEGVSTTDLIVRILKNYEDY
Ligand information
Ligand IDHV2
InChIInChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2
InChIKeyCIUZABLJPXPIFC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC1C[S](=O)(=O)C1
OpenEye OEToolkits 2.0.6C1C(CS1(=O)=O)O
FormulaC3 H6 O3 S
Name1,1-bis(oxidanylidene)thietan-3-ol
ChEMBL
DrugBank
ZINCZINC000001674463
PDB chain7pvf Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pvf Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
Resolution2.33 Å
Binding residue
(original residue number in PDB)		E671 S688
Binding residue
(residue number reindexed from 1)		E56 S73
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.15: choline-phosphate cytidylyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004105 choline-phosphate cytidylyltransferase activity
Biological Process
GO:0006657 CDP-choline pathway
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7pvf, PDBe:7pvf, PDBj:7pvf
PDBsum7pvf
PubMed
UniProtQ8IEE9

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