Structure of PDB 7py9 Chain A Binding Site BS01

Receptor Information
>7py9 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 ID8GZ
InChIInChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m1/s1
InChIKeyHVVNJUAVDAZWCB-RXMQYKEDSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H]1CCCN1
OpenEye OEToolkits 3.1.0.0C1CC(NC1)CO
OpenEye OEToolkits 3.1.0.0C1C[C@@H](NC1)CO
CACTVS 3.385OC[CH]1CCCN1
FormulaC5 H11 N O
NameD-Prolinol;
[(2~{R})-pyrrolidin-2-yl]methanol;
[(2R)-pyrrolidin-2-yl]methanol;
(pyrrolidin-2-yl)methanol;
(2R)-pyrrolidin-2-ylmethanol
ChEMBL
DrugBank
ZINCZINC000000391905
PDB chain7py9 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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PDB7py9 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
Resolution2.03 Å
Binding residue
(original residue number in PDB)		D705 Y706 G748 K749
Binding residue
(residue number reindexed from 1)		D91 Y92 G106 K107
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:7py9, PDBe:7py9, PDBj:7py9
PDBsum7py9
PubMed
UniProtQ8IEE9

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