Structure of PDB 7pve Chain A Binding Site BS02

Receptor Information
>7pve Chain A (length=133) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETKLFKG
QVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIYA
WLKRAGKFKATQRTEGVSTTDLIVRILKNYEDY
Ligand information
Ligand IDES3
InChIInChI=1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKeyFHZALEJIENDROK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c(nc[nH]1)Br
CACTVS 3.352Brc1c[nH]cn1
FormulaC3 H3 Br N2
Name4-bromo-1H-imidazole
ChEMBLCHEMBL1232569
DrugBank
ZINCZINC000008294972
PDB chain7pve 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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PDB7pve Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
Resolution2.39 Å
Binding residue
(original residue number in PDB)		E685 Y702
Binding residue
(residue number reindexed from 1)		E71 Y88
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:7pve, PDBe:7pve, PDBj:7pve
PDBsum7pve
PubMed
UniProtQ8IEE9

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