Structure of PDB 6ezl Chain B Binding Site BS01

Receptor Information
>6ezl Chain B (length=392) Species: 353153 (Trypanosoma cruzi strain CL Brener) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CLWNNIAALPADPIFSASLVAKKAPEPKADLIIGAYRDAEGHPYPLNVVR
KAEQRLLELPMSGYAPFIEESLKIAYGDSVARENVVGIQGLSGTGSLSIG
ACFLARVLSRDTPVYISDPTWPNHYAVMAAANLTDLRKYRYYDNAKRCID
FDGLLEDLNGAPEGSIVILHACAHNPTGMDPTHEQWAKILEVFQARRLIP
FFDSAYQGYATGSLDNDAYSIRLFARQGMEMLLAQSYSKNMGLYAERVGV
CSIVTANPKKAPLIKSQLETIVRSQYSTPPAHGARVAYLVLSDPELRAGW
EQELRVMSTRVLEMRQALYDGLKRLGTPGSWEHIIQQVGMFSYLGLTKAQ
CEKLIERRVFVLPSGRANMAGLTKRSVELLVKGIDEVVRTVT
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 chain6ezl Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ezl Structure of aspartate aminotransferase from Trypanosoma Cruzi at 2.07 Angstrom resolution
Resolution2.07 Å
Binding residue
(original residue number in PDB)		H44 S101 G102 T103 W130 D212 A214 Y215 S245 S247 K248
Binding residue
(residue number reindexed from 1)		H42 S92 G93 T94 W121 D203 A205 Y206 S236 S238 K239
Annotation score1
Enzymatic activity
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6ezl, PDBe:6ezl, PDBj:6ezl
PDBsum6ezl
PubMed
UniProtQ4D080

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