Structure of PDB 7q2v Chain A Binding Site BS01

Receptor Information

>7q2v Chain A (length=134) Species: 5833 (Plasmodium falciparum)

SKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETKLFKG
QVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDEDIY
AWLKRAGKFKATQRTEGVSTTDLIVRILKNYEDY

Ligand information

• Ligand ID: 8PB
• InChI: InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3/t5-/m1/s1
• InChIKey: FLVFPAIGVBQGET-RXMQYKEDSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CN1CC[C@H](C1)O
  CACTVS 3.385: CN1CC[C@@H](O)C1
  OpenEye OEToolkits 2.0.7: CN1CCC(C1)O
  CACTVS 3.385: CN1CC[CH](O)C1
• Formula: C5 H11 N O
• Name: (3R)-1-methylpyrrolidin-3-ol;
  (R)-3-Hydroxy-1-methylpyrrolidine
• ZINC: ZINC000000404446
• PDB chain: 7q2v Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7q2v Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
• Resolution: 1.96 Å
• Binding residue (original residue number in PDB): D623 W692
• Binding residue (residue number reindexed from 1): D9 W78
• Annotation score: 1

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

External links

• PDB: RCSB:7q2v, PDBe:7q2v, PDBj:7q2v
• PDBsum: 7q2v
• UniProt: Q8IEE9