Structure of PDB 7sxm Chain C Binding Site BS01

Receptor Information
>7sxm Chain C (length=243) Species: 79929 (Methanothermobacter marburgensis str. Marburg) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQYYPGTTKVAQNRRNFCNPEYELEKLREISDEDVVKILGHRAPGEEYPS
VHPPLEEPEDAIREMVEPIDGAKAGDRVRYIQFTDSMYFAPAQPYVRSRA
YLCRYRGADAGTLSGRQIIETRERDLEKISKELLETEFFDPARSGVRGKS
VHGHSLRLDEDGMMFDMLRRQIYNKDTGRVEMVKNQIGDELDEPVDLGEP
LDEETLMEKTTIYRVDGEAYRDDVEAVEIMQRIHVLRSQGGFN
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 chain7sxm Chain A Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sxm XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase.
Resolution2.503 Å
Binding residue
(original residue number in PDB)		L117 R120
Binding residue
(residue number reindexed from 1)		L113 R116
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:7sxm, PDBe:7sxm, PDBj:7sxm
PDBsum7sxm
PubMed35202981
UniProtP11562|MCRG_METTM Methyl-coenzyme M reductase I subunit gamma (Gene Name=mcrG)

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