Structure of PDB 3k7y Chain A Binding Site BS02

Receptor Information

>3k7y Chain A (length=405) Species: 36329 (Plasmodium falciparum 3D7)

MDKLLSSLENIEVDNILKTAREFKEDTCEEKINLSIGVCCNDDGDLHIFD
SVLNADKLVTENYKEKPYLLGNGTEDFSTLTQNLIFGNNSKYIEDKKICT
IQCIGGTGAIFVLLEFLKMLNVETLYVTNPPYINHVNMIESRGFNLKYIN
FFDYNLIDINYDLFLNDLRNIPNGSSVILQISCYNPCSVNIEEKYFDEII
EIVLHKKHVIIFDIAYQGFGHTNLEEDVLLIRKFEEKNIAFSVCQSFSKN
MSLYGERAGALHIVCKNQEEKKIVFNNLCFIVRKFYSSPVIHTNRILCQL
LNNQNLKLNWIKELSQLSQRITNNRILFFNKLETYQKKYNLNYDWNVYKK
QRGLFSFVPLLAKIAEHLKTHHIYIINNGRINVSGITKNNVDYIADKICL
SLSQI

Ligand information

• Ligand ID: ACT
• InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
• InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04: [O-]C(=O)C
  OpenEye OEToolkits 1.5.0: CC(=O)[O-]
  CACTVS 3.341: CC([O-])=O
• Formula: C2 H3 O2
• Name: ACETATE ION
• DrugBank: DB14511
• PDB chain: 3k7y Chain A Residue 407

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3k7y Specific Inhibition of the Aspartate Aminotransferase of Plasmodium falciparum.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): N330 K349
• Binding residue (residue number reindexed from 1): N330 K349
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y132 D213 A215 K249
• Catalytic site (residue number reindexed from 1): Y132 D213 A215 K249
• Enzyme Commision number: 2.6.1.1: aspartate transaminase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity
• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0009058 biosynthetic process

Cellular Component

• GO:0005739 mitochondrion

External links

• PDB: RCSB:3k7y, PDBe:3k7y, PDBj:3k7y
• PDBsum: 3k7y
• PubMed: 21087616
• UniProt: O96142