Structure of PDB 7b1s Chain E Binding Site BS03

Receptor Information
>7b1s Chain E (length=466) Species: 2766897 (Candidatus Ethanoperedens thermophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYLTEKIDLYGDNGKVLESDIPLEAVTPVQNPAVRELASIFKRSVAVNLG
GAQKALSTGHYANEYIHFPDIPNKDKLGIKSSPGGKYPPKSVKVRTMDLP
LVDDADDIAARLKERLQVNPDDGTEVRVMKKGNVLYVKISEQLANTGVEY
TTALTTTAQAMTDLVMEKYDLDFHASPLVHCAFYGRYPQTYEFMGGNVIS
LLAASCANEGPGFAMRNIMANHIVAATRKRTLEAVALSSTLEAIGHVEMG
DAIGRWRRWQALVHACQGLNANNVVYDLVKEAGHGCTGDVVAATVGRALE
DGIISVKKTLPSGYKFYTANDPSMWNAYVCAGLVAAVIVNQGAARAAQGV
SSTLLYFNDLIEHETGLPHAGYGDGMGNGVSFSFFSHAIYGGGSPGIFSG
NHIVTRHSKGFAIPVIAAAVSLDSGTAVYGPEATSGLVGDIFGEVDLIRR
PMEAIASAAAEIKDKF
Ligand information
Ligand IDCOM
InChIInChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)
InChIKeyZNEWHQLOPFWXOF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[S](=O)(=O)CCS
OpenEye OEToolkits 1.5.0C(CS(=O)(=O)O)S
ACDLabs 10.04O=S(=O)(O)CCS
FormulaC2 H6 O3 S2
Name1-THIOETHANESULFONIC ACID
ChEMBLCHEMBL1098319
DrugBankDB09110
ZINCZINC000003831040
PDB chain7b1s Chain F Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7b1s Crystal structure of a key enzyme for anaerobic ethane activation.
Resolution0.992 Å
Binding residue
(original residue number in PDB)		F385 Y391
Binding residue
(residue number reindexed from 1)		F384 Y390
Annotation score2
Enzymatic activity
Enzyme Commision number 2.8.4.1: coenzyme-B sulfoethylthiotransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0050524 coenzyme-B sulfoethylthiotransferase activity
Biological Process
GO:0015948 methanogenesis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7b1s, PDBe:7b1s, PDBj:7b1s
PDBsum7b1s
PubMed34210888
UniProtA0A7R9N4Z1

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