Structure of PDB 8q54 Chain U Binding Site BS02

Receptor Information
>8q54 Chain U (length=294) Species: 145263 (Methanothermobacter marburgensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDPMITGLGVVALMGAAATIAGAAEDLESDVGSQSNPNSQVQLAPQMGHL
HRIINKAVSGEPVAYGTWCGIAGSVAFVLMNSMQLPVIMAIAIGAVIAAM
VHTTYAVTSHMGRIVSQSQFNQPLFMDMLVQHLGPIAGHGFIVTFCTVGL
SYLMTLPIPGFAHPFPLPLLAVLWGITIGAIGSSTGDVHYGAEREYQQYP
FGGGIPVAIHGDITTKAELGARNSMDVVHFCAKYGGPLTGFAFGAIVFLS
FWNTIVFGITGGIISGLIIVLLLIILNNRLEVFARNRYGPYKEE
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 chain8q54 Chain U Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8q54 Cryo-EM structure of the methanogenic Na+ translocating N5-methyl-H4MPT:CoM methyltransferase complex
Resolution2.39 Å
Binding residue
(original residue number in PDB)		S35 N38 S39 R113
Binding residue
(residue number reindexed from 1)		S35 N38 S39 R113
Annotation score5
External links
PDB RCSB:8q54, PDBe:8q54, PDBj:8q54
PDBsum8q54
PubMed
UniProtP80186|MTRE_METTM Tetrahydromethanopterin S-methyltransferase subunit E (Gene Name=mtrE)

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