Structure of PDB 7qvn Chain A Binding Site BS01

Receptor Information
>7qvn 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 IDIRU
InChIInChI=1S/C4H6N2O/c7-3-4-1-2-5-6-4/h1-2,7H,3H2,(H,5,6)
InChIKeyUIEABCXJWANXFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OCc1[nH]ncc1
OpenEye OEToolkits 2.0.7c1cn[nH]c1CO
FormulaC4 H6 N2 O
Name1~{H}-pyrazol-5-ylmethanol
ChEMBLCHEMBL3275945
DrugBank
ZINCZINC000004343992
PDB chain7qvn Chain A Residue 801 [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]
PDB7qvn Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
Resolution2.21 Å
Binding residue
(original residue number in PDB)		D623 K663 W692
Binding residue
(residue number reindexed from 1)		D9 K49 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7qvn, PDBe:7qvn, PDBj:7qvn
PDBsum7qvn
PubMed
UniProtQ8IEE9

[Back to BioLiP]