Structure of PDB 7pyb Chain A Binding Site BS01

Receptor Information
>7pyb Chain A (length=134) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETKLFKG
QVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDDIY
AWLKRAGKFKATQRTEGVSTTDLIVRILKNYEDY
Ligand information
Ligand IDHRZ
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKeyUBQKCCHYAOITMY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C1NC=CC=C1
OpenEye OEToolkits 2.0.6C1=CC(=O)NC=C1
FormulaC5 H5 N O
Name1~{H}-pyridin-2-one
ChEMBLCHEMBL662
DrugBank
ZINCZINC000008737707
PDB chain7pyb Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pyb 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)		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:7pyb, PDBe:7pyb, PDBj:7pyb
PDBsum7pyb
PubMed
UniProtQ8IEE9

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