Structure of PDB 5jr5 Chain D Binding Site BS01
Receptor Information
>5jr5 Chain D (length=52) Species:
2280
(Staphylothermus marinus) [
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GSIINETADDIVYRLTVIIDDRYESLKNLITLRADRLEMIINDNVSTILA
SI
Ligand information
Ligand ID
PS9
InChI
InChI=1S/S8/c1-2-4-6-8-7-5-3-1
InChIKey
JLQNHALFVCURHW-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
S1SSSSSSS1
Formula
S8
Name
octathiocane
ChEMBL
CHEMBL1235452
DrugBank
DB09353
ZINC
PDB chain
5jr5 Chain A Residue 101 [
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Receptor-Ligand Complex Structure
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PDB
5jr5
Archaea S-layer nanotube from a "black smoker" in complex with cyclo-octasulfur (S8 ) rings.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
R22 Y23
Binding residue
(residue number reindexed from 1)
R22 Y23
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:5jr5
,
PDBe:5jr5
,
PDBj:5jr5
PDBsum
5jr5
PubMed
28905430
UniProt
Q54436
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