Structure of PDB 5b5s Chain A Binding Site BS02
Receptor Information
>5b5s Chain A (length=207) [
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MVKVMLLGDSITEITCWRPLVWEQITSAGLAGSVDFVGSMNDLQPNCSRP
QGFDPDHEGHSGWQAYDIARNNIAGWVQNTKPDIVQFMLGTNDVNIGHRN
ADSIIGSYTIMLNAMRAANPRVKVIVDKIIPTSWSDATIEAVNTAIPGWV
QQQTTAESPVVIADCSRAAGFTNDMLRDDGVHPNSKGDQFIAGQIGPKLI
QLIKDVS
Ligand information
Ligand ID
SO3
InChI
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
InChIKey
LSNNMFCWUKXFEE-UHFFFAOYSA-L
SMILES
Software
SMILES
CACTVS 3.341
[O-][S]([O-])=O
OpenEye OEToolkits 1.5.0
[O-]S(=O)[O-]
ACDLabs 10.04
[O-]S([O-])=O
Formula
O3 S
Name
SULFITE ION
ChEMBL
DrugBank
ZINC
PDB chain
5b5s Chain A Residue 305 [
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Receptor-Ligand Complex Structure
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PDB
5b5s
Crystal structure of an acetylesterase from Talaromyces cellulolyticus and the importance of a disulfide bond near the active site
Resolution
1.5 Å
Binding residue
(original residue number in PDB)
N184 S185 K186
Binding residue
(residue number reindexed from 1)
N184 S185 K186
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:5b5s
,
PDBe:5b5s
,
PDBj:5b5s
PDBsum
5b5s
PubMed
25825334
UniProt
A0A0A8IBJ8
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