Structure of PDB 7qx3 Chain A Binding Site BS01

Receptor Information
>7qx3 Chain A (length=422) Species: 1765964 (Acidihalobacter) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRIITRAEGCYLWDSDGNQILDGMAGLWCVNIGYGRKELAEVAYRQMQEL
PYYNNFFQCSHPPAIELSRLLSEVTPKHMNHVFFTGSGSDSNDTILRMVR
YYWKLLGKPYKKVVISRENAYHGSTVAGASLSGMKAMHSHGDLPIPGIEH
IEQPYHFGRAPDMDPAEFGRQAAQALERKIDEIGECNVAAFIAEPIQGAG
GVIIPPDSYWPEIKRICAERDILLIVDEVITGFGRLGTWFGSQYYDLQPD
LMPIAKGLSSGYMPIGGVMVSDRVAKVVIEEGGEFFHGYTYSGHPVAAAV
AAENIRIMRDEGIIERAGAEIAPYLQARWRELGEHPLVGEARGVGMVAAL
ELVKSKQPLERFEEPGKVGSLCRDLSVKNGLVMRAVGGTMIISPPLVLSR
EQVDELIDKARRTLDETHKAIG
Ligand information
Ligand IDGH0
InChIInChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)
InChIKeyWSYUEVRAMDSJKL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCCO[S](O)(=O)=O
OpenEye OEToolkits 2.0.7C(COS(=O)(=O)O)N
FormulaC2 H7 N O4 S
Name2-azanylethyl hydrogen sulfate
ChEMBLCHEMBL341858
DrugBank
ZINCZINC000003860168
PDB chain7qx3 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qx3 A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		Y154 A232 K289
Binding residue
(residue number reindexed from 1)		Y121 A199 K256
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7qx3, PDBe:7qx3, PDBj:7qx3
PDBsum7qx3
PubMed35734849
UniProtA0A3G5BC54

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