Structure of PDB 7pya Chain A Binding Site BS01

Receptor Information
>7pya Chain A (length=131) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETKLFKG
QVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIYA
WLKRAGKFKATQRTEGVSTTDLIVRILKNYE
Ligand information
Ligand IDXKS
InChIInChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2
InChIKeyGMWFCJXSQQHBPI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		OC1CNC1
OpenEye OEToolkits 2.0.7C1C(CN1)O
FormulaC3 H7 N O
Nameazetidin-3-ol
ChEMBL
DrugBank
ZINCZINC000004682874
PDB chain7pya 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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PDB7pya Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D623 W692
Binding residue
(residue number reindexed from 1)		D9 W78
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:7pya, PDBe:7pya, PDBj:7pya
PDBsum7pya
PubMed
UniProtQ8IEE9

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