Structure of PDB 7qx0 Chain B Binding Site BS01

Receptor Information
>7qx0 Chain B (length=443) Species: 1765964 (Acidihalobacter) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STADWQRLDAAHHLHPFTDYGELNTKGSRIITRAEGCYLWDSDGNQILDG
MAGLWCVNIGYGRKELAEVAYRQMQELPYYNNFFQCSHPPAIELSRLLSE
VTPKHMNHVFFTGSGSDSNDTILRMVRYYWKLLGKPYKKVVISRENAYHG
STVAGASLSGMKAMHSHGDLPIPGIEHIEQPYHFGRAPDMDPAEFGRQAA
QALERKIDEIGECNVAAFIAEPIQGAGGVIIPPDSYWPEIKRICAERDIL
LIVDEVITGFGRLGTWFGSQYYDLQPDLMPIAKGLSSGYMPIGGVMVSDR
VAKVVIEEGGEYSGHPVAAAVAAENIRIMRDEGIIERAGAEIAPYLQARW
RELGEHPLVGEARGVGMVAALELVKSKQPLERFEEPGKVGSLCRDLSVKN
GLVMRAVGGTMIISPPLVLSREQVDELIDKARRTLDETHKAIG
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 chain7qx0 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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PDB7qx0 A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S120 G121 S122 Y154 H155 E227 D260 V262 I263 K289
Binding residue
(residue number reindexed from 1)		S114 G115 S116 Y148 H149 E221 D254 V256 I257 K283
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.18: beta-alanine--pyruvate transaminase.
Gene Ontology
Molecular Function
GO:0004015 adenosylmethionine-8-amino-7-oxononanoate transaminase activity
GO:0008483 transaminase activity
GO:0016223 beta-alanine:pyruvate transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009102 biotin biosynthetic process
GO:0009448 gamma-aminobutyric acid metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7qx0, PDBe:7qx0, PDBj:7qx0
PDBsum7qx0
PubMed35734849
UniProtA0A3G5BC54

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