Structure of PDB 7q9v Chain A Binding Site BS02

Receptor Information
>7q9v 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 chain7q9v Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7q9v Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
Resolution1.5 Å
Binding residue
(original residue number in PDB)		I650 E685 Y702
Binding residue
(residue number reindexed from 1)		I36 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7q9v, PDBe:7q9v, PDBj:7q9v
PDBsum7q9v
PubMed
UniProtQ8IEE9

[Back to BioLiP]