Structure of PDB 2egy Chain C Binding Site BS01

Receptor Information
>2egy Chain C (length=396) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPLSWSEAFGKGAGRIQASTIRELLKLTQRPGILSFAGGLPAPELFPKEE
AAEAAARILREKGEVALQYSPTEGYAPLRAFVAEWIGVRPEEVLITTGSQ
QALDLVGKVFLDEGSPVLLEAPSYMGAIQAFRLQGPRFLTVPAGEEGPDL
DALEEVLKRERPRFLYLIPSFQNPTGGLTPLPARKRLLQMVMERGLVVVE
DDAYRELYFGEARLPSLFELAREAGYPGVIYLGSFSKVLSPGLRVAFAVA
HPEALQKLVQAKQGADLHTPMLNQMLVHELLKEGFSERLERVRRVYREKA
QAMLHALDREVPKEVRYTRPKGGMFVWMELPKGLSAEGLFRRALEENVAF
VPGGPFFANGGGENTLRLSYATLDREGIAEGVRRLGRALKGLLALV
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 chain2egy Chain C Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2egy alpha-Aminoadipate aminotransferase from an extremely thermophilic bacterium, Thermus thermophilus
Resolution2.67 Å
Binding residue
(original residue number in PDB)		G99 S100 Q101 Y125 N174 D202 A204 Y205 S235 S237 K238 R245
Binding residue
(residue number reindexed from 1)		G98 S99 Q100 Y124 N173 D201 A203 Y204 S234 S236 K237 R244
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.39: 2-aminoadipate transaminase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0047536 2-aminoadipate transaminase activity
Biological Process
GO:0009058 biosynthetic process
GO:0019878 lysine biosynthetic process via aminoadipic acid
GO:1901605 alpha-amino acid metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2egy, PDBe:2egy, PDBj:2egy
PDBsum2egy
PubMed
UniProtQ72LL6|LYSN_THET2 2-aminoadipate transaminase (Gene Name=lysN)

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