Structure of PDB 3k7y Chain A Binding Site BS01

Receptor Information
>3k7y Chain A (length=405) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDKLLSSLENIEVDNILKTAREFKEDTCEEKINLSIGVCCNDDGDLHIFD
SVLNADKLVTENYKEKPYLLGNGTEDFSTLTQNLIFGNNSKYIEDKKICT
IQCIGGTGAIFVLLEFLKMLNVETLYVTNPPYINHVNMIESRGFNLKYIN
FFDYNLIDINYDLFLNDLRNIPNGSSVILQISCYNPCSVNIEEKYFDEII
EIVLHKKHVIIFDIAYQGFGHTNLEEDVLLIRKFEEKNIAFSVCQSFSKN
MSLYGERAGALHIVCKNQEEKKIVFNNLCFIVRKFYSSPVIHTNRILCQL
LNNQNLKLNWIKELSQLSQRITNNRILFFNKLETYQKKYNLNYDWNVYKK
QRGLFSFVPLLAKIAEHLKTHHIYIINNGRINVSGITKNNVDYIADKICL
SLSQI
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain3k7y Chain A Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3k7y Specific Inhibition of the Aspartate Aminotransferase of Plasmodium falciparum.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G105 G106 T107 Y132 Q180 D213 A215 Y216 S246 S248 K249 R257
Binding residue
(residue number reindexed from 1)		G105 G106 T107 Y132 Q180 D213 A215 Y216 S246 S248 K249 R257
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3k7y, PDBe:3k7y, PDBj:3k7y
PDBsum3k7y
PubMed21087616
UniProtO96142

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