Structure of PDB 1e6y Chain B Binding Site BS02

Receptor Information
>1e6y Chain B (length=432) Species: 2208 (Methanosarcina barkeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDTVDIYDDRGKLLESNVDIMSLAPTRNAAIQSIIMDTKRSVAVNLAGIQ
GALASGKMGGKGRQILGRGLNYDIVGNADAIAENVKKLVQVDEGDDTNVI
KVKGGKSLLIQSPKSRIIAGADFMSATTVGAAAVTQTIMDMFGTDPYDAP
IVKSAVWGSYPQTMDLMGGQVQGILSIPQNNEGLGFSLRNIMANHVAAIS
NRNAMNASALSSIYEQSGIFEMGGAVGMFERHQLLGLAYQGLNANNLLYD
IVKENGKDGTIGTVIESVVRRAIEAGIISVDKTAPSGYNFYKANDVPKWN
ACAAVGTLAATLVNCGAGRAAQNVSSTLLYFNDILEKETGLPGCDYGKVE
GTAVGFSFFSHSIYGGGGPGVFNGNHVVTRHSRGFAIPCVCAAVALDAGT
QMFSIESTSGLIGDVFGAIPEFREPIKAVAGV
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 chain1e6y Chain A Residue 2572 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e6y Comparison of Three Methyl-Coenzyme M Reductases from Phylogenetically Distant Organisms: Unusual Amino Acid Modification, Conservation and Adaptation
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F2359 Y2365
Binding residue
(residue number reindexed from 1)		F358 Y364
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
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1e6y, PDBe:1e6y, PDBj:1e6y
PDBsum1e6y
PubMed11023796
UniProtP07955|MCRB_METBF Methyl-coenzyme M reductase subunit beta (Gene Name=mcrB)

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