Structure of PDB 7q9w Chain A Binding Site BS01

Receptor Information
>7q9w 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 ID9NN
InChIInChI=1S/C6H9N3/c7-4-5-1-2-9-6(8)3-5/h1-3H,4,7H2,(H2,8,9)
InChIKeyYKQKTLFFQSDTGM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCc1ccnc(N)c1
OpenEye OEToolkits 2.0.7c1cnc(cc1CN)N
FormulaC6 H9 N3
Name4-(aminomethyl)pyridin-2-amine
ChEMBLCHEMBL4525507
DrugBank
ZINCZINC000026895238
PDB chain7q9w 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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PDB7q9w Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L670 S688
Binding residue
(residue number reindexed from 1)		L56 S74
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:7q9w, PDBe:7q9w, PDBj:7q9w
PDBsum7q9w
PubMed
UniProtQ8IEE9

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