Structure of PDB 7pvg Chain A Binding Site BS01

Receptor Information
>7pvg 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
QVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDDIY
AWLKRAGKFKATQRTEGVSTTDLIVRILKNYE
Ligand information
Ligand IDS3V
InChIInChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
InChIKeyTWBYWOBDOCUKOW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cnccc1C(=O)O
CACTVS 3.385OC(=O)c1ccncc1
FormulaC6 H5 N O2
Namepyridine-4-carboxylic acid
ChEMBLCHEMBL1203
DrugBankDB16884
ZINCZINC000000158593
PDB chain7pvg 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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PDB7pvg Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
Resolution2.27 Å
Binding residue
(original residue number in PDB)		D623 T654 W692 H709
Binding residue
(residue number reindexed from 1)		D9 T40 W78 H95
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:7pvg, PDBe:7pvg, PDBj:7pvg
PDBsum7pvg
PubMed
UniProtQ8IEE9

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