Structure of PDB 2zy3 Chain B Binding Site BS01

Receptor Information
>2zy3 Chain B (length=515) Species: 32001 (Alcaligenes faecalis subsp. faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELKDELIKIASSDGNRLMLNAGRGNPNFLATTPRRAFFRLGLFAAAESEL
SYSYMTTVGVGGLAKIDGIEGRFERYIAENRDQEGVRFLGKSLSYVRDQL
GLDPAAFLHEMVDGILGCNYPVPPRMLNISEKIVRQYIIREMGADAIPSE
SVNLFAVEGGTAAMAYIFESLKLNGLLKAGDKVAIGMPVFTPYIEIPELA
QYALEEVAINADPSLNWQYPDSELDKLKDPAIKIFFCVNPSNPPSVKMDQ
RSLERVRNIVAEHRPDLMILTDDVYGTFADDFQSLFAICPENTLLVYSFS
KYFGATGWRLGVVAAHQQNVFDLALDKLQESEKVALDHRYRSLLPDVRSL
KFIDRLVADSRAVALNHTAGLSTPQQVQMALFSLFALMDEADEYKHTLKQ
LIRRRETTLYRELGMPPLRDENAVDYYTLIDLQDVTAKLYGEAFSEWAVK
QSSTGDMLFRIADETGIVLLPGRGFGSNRPSGRASLANLNEYEYAAIGRA
LRKMADELYAEYSGQ
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 chain2zy3 Chain B Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zy3 Structure, Assembly, and Mechanism of a PLP-Dependent Dodecameric l-Aspartate beta-Decarboxylase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R37 G173 G174 T175 F204 D286 V288 Y289 S312 S314 K315 R323
Binding residue
(residue number reindexed from 1)		R23 G159 G160 T161 F190 D272 V274 Y275 S298 S300 K301 R309
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.1: aspartate transaminase.
4.1.1.12: aspartate 4-decarboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004069 L-aspartate:2-oxoglutarate aminotransferase activity
GO:0008483 transaminase activity
GO:0016831 carboxy-lyase activity
GO:0016847 1-aminocyclopropane-1-carboxylate synthase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
GO:0047688 aspartate 4-decarboxylase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006523 alanine biosynthetic process
GO:0006531 aspartate metabolic process
GO:0008652 amino acid biosynthetic process
GO:0009058 biosynthetic process
GO:0042218 1-aminocyclopropane-1-carboxylate biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2zy3, PDBe:2zy3, PDBj:2zy3
PDBsum2zy3
PubMed19368885
UniProtQ93QX0|ASDA_COMTE Bifunctional aspartate aminotransferase and L-aspartate beta-decarboxylase (Gene Name=asD)

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