Structure of PDB 7q3m Chain A Binding Site BS01

Receptor Information

>7q3m Chain A (length=131) Species: 5833 (Plasmodium falciparum)

SKNVVIYADGVYDMLHLGHMKQLEQAKKLFENTTLIVGVTSDNETKLFKG
QVVQTLEERTETLKHIRWVDEIISPCPWVVTPEFLEKYKIDYVAHDDIYA
WLKRAGKFKATQRTEGVSTTDLIVRILKNYE

Ligand information

• Ligand ID: GZ6
• InChI: InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)/p+1
• InChIKey: ZRALSGWEFCBTJO-UHFFFAOYSA-O
• SMILES:
  OpenEye OEToolkits 2.0.7: C(=[NH2+])(N)N
  CACTVS 3.385: NC(N)=[NH2+]
  ACDLabs 12.01: C(\N)(N)=[NH2+]
• Formula: C H6 N3
• Name: Guanidinium
• PDB chain: 7q3m Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7q3m Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): M628 L629
• Binding residue (residue number reindexed from 1): M14 L15
• 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:7q3m, PDBe:7q3m, PDBj:7q3m
• PDBsum: 7q3m
• UniProt: Q8IEE9