Structure of PDB 7pyc Chain A Binding Site BS01

Receptor Information
>7pyc Chain A (length=132) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETKLFKG
QVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDIYAW
LKRAGKFKATQRTEGVSTTDLIVRILKNYEDY
Ligand information
Ligand ID2AP
InChIInChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)/p+1
InChIKeyICSNLGPSRYBMBD-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04Nc1[nH+]cccc1
CACTVS 3.341Nc1cccc[nH+]1
OpenEye OEToolkits 1.5.0c1cc[nH+]c(c1)N
FormulaC5 H7 N2
Name2-AMINOPYRIDINE
ChEMBL
DrugBank
ZINC
PDB chain7pyc 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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PDB7pyc 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:7pyc, PDBe:7pyc, PDBj:7pyc
PDBsum7pyc
PubMed
UniProtQ8IEE9

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