Structure of PDB 7qa7 Chain A Binding Site BS01

Receptor Information
>7qa7 Chain A (length=136) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETKLFKG
QVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIED
IYAWLKRAGKFKATQRTEGVSTTDLIVRILKNYEDY
Ligand information
Ligand ID9L6
InChIInChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2
InChIKeyIGSKHXTUVXSOMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCC1CC1
OpenEye OEToolkits 2.0.7C1CC1CN
FormulaC4 H9 N
Namecyclopropylmethanamine
ChEMBL
DrugBank
ZINCZINC000001685955
PDB chain7qa7 Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qa7 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
Resolution2.36 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:7qa7, PDBe:7qa7, PDBj:7qa7
PDBsum7qa7
PubMed
UniProtQ8IEE9

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