Structure of PDB 7qd3 Chain A Binding Site BS02

Receptor Information
>7qd3 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 ID6LR
InChIInChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
InChIKeyYNAVUWVOSKDBBP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N1CCOCC1
CACTVS 3.385
OpenEye OEToolkits 2.0.4		C1COCCN1
FormulaC4 H9 N O
Namemorpholine
ChEMBLCHEMBL276518
DrugBankDB13669
ZINCZINC000001699948
PDB chain7qd3 Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qd3 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
Resolution2.43 Å
Binding residue
(original residue number in PDB)		D705 Y706 K749
Binding residue
(residue number reindexed from 1)		D91 Y92 K106
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:7qd3, PDBe:7qd3, PDBj:7qd3
PDBsum7qd3
PubMed
UniProtQ8IEE9

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