Structure of PDB 6l8a Chain E Binding Site BS02

Receptor Information
>6l8a Chain E (length=452) Species: 920 (Acidithiobacillus ferrooxidans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVPMDSTGPYRTVSHPENAPSGGVGPSEWTHAYANPAHNAAFPVPDDAPE
WIRNGVSWLFPEARAWPLANPPFGSKTYGAAEASVTQTQFYGNALGPSVV
DGVVYAESDDMFAYAVNAKTGKLIWRASPVGNNLMGNPLVIGNTVYLSAG
SVAFNFANVLRYAHNPSASARGLNVSFNGIYALNRSNGKLLWYFATPGET
MATPAYDNNTLFIADGAGNAFGINATTGKQVWKTHVGGMDNMSSVTAYRH
NIYFAMAIKPYLYCLNESNGHIVWKGTIPGASNTGIGDVSPAAADGVVVL
DATTKMFSNVIRAFDAKTGAVLWTRNMGSGGKIPAFKGGVPMIHNNIVYV
GNPVASTYQAYELKTGKLLWTWHVPTKVAAGAGRSAPTYYKGLLYITTGQ
YIFVVNPATGKELHQHHIGGQFGIESPVIVGGTVYLTNSWDWIMAIPLKT
IS
Ligand information
Ligand IDBAL
InChIInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKeyUCMIRNVEIXFBKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCC(O)=O
OpenEye OEToolkits 1.7.0C(CN)C(=O)O
ACDLabs 12.01O=C(O)CCN
FormulaC3 H7 N O2
NameBETA-ALANINE
ChEMBLCHEMBL297569
DrugBankDB03107
ZINCZINC000004658555
PDB chain6l8a Chain E Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6l8a Reaction mechanism of tetrathionate hydrolysis based on the crystal structure of tetrathionate hydrolase from Acidithiobacillus ferrooxidans.
Resolution1.95005 Å
Binding residue
(original residue number in PDB)		Y285 R286 D332
Binding residue
(residue number reindexed from 1)		Y248 R249 D295
Annotation score1
Enzymatic activity
Enzyme Commision number 3.12.1.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:6l8a, PDBe:6l8a, PDBj:6l8a
PDBsum6l8a
PubMed33103311
UniProtB7J3C9|TTH_ACIF2 Tetrathionate hydrolase (Gene Name=tth)

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