Structure of PDB 7qvo Chain A Binding Site BS01

Receptor Information
>7qvo 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 IDGZ6
InChIInChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1
InChIKeyZRALSGWEFCBTJO-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(=[NH2+])(N)N
CACTVS 3.385NC(N)=[NH2+]
ACDLabs 12.01C(\N)(N)=[NH2+]
FormulaC H6 N3
NameGuanidinium
ChEMBL
DrugBank
ZINC
PDB chain7qvo Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qvo Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
Resolution1.62 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:7qvo, PDBe:7qvo, PDBj:7qvo
PDBsum7qvo
PubMed
UniProtQ8IEE9

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