Structure of PDB 7q3m Chain A Binding Site BS05

Receptor Information
>7q3m Chain A (length=131) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETKLFKG
QVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIYA
WLKRAGKFKATQRTEGVSTTDLIVRILKNYE
Ligand information
Ligand ID8O9
InChIInChI=1S/C5H11NO/c7-5-2-1-3-6-4-5/h5-7H,1-4H2/t5-/m0/s1
InChIKeyBIWOSRSKDCZIFM-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC(CNC1)O
CACTVS 3.385O[C@H]1CCCNC1
CACTVS 3.385O[CH]1CCCNC1
OpenEye OEToolkits 2.0.7C1C[C@@H](CNC1)O
FormulaC5 H11 N O
Name(3S)-piperidin-3-ol;
(S)-3-Hydroxypiperidine
ChEMBL
DrugBank
ZINCZINC000000388441
PDB chain7q3m Chain A Residue 805 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7q3m Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D623 Y626
Binding residue
(residue number reindexed from 1)		D9 Y12
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:7q3m, PDBe:7q3m, PDBj:7q3m
PDBsum7q3m
PubMed
UniProtQ8IEE9

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