Structure of PDB 1e6y Chain D Binding Site BS05

Receptor Information
>1e6y Chain D (length=568) Species: 2208 (Methanosarcina barkeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AADIFSKFKKDMEVKFAQEFGSNKQTGGDITDKTAKFLRLGPEQDPRKVE
MIKAGKEIAEKRGIAFYNPMMHSGAPLGQRAITPYTISGTDIVCEPDDLH
YVNNAAMQQMWDDIRRTCIVGLDMAHETLEKRLGKEVTPETINHYLEVLN
HAMPGAAVVQEMMVETHPALVDDCYVKVFTGDDALADEIDKQFLIDINKE
FSEEQAAQIKASIGKTSWQAIHIPTIVSRTTDGAQTSRWAAMQIGMSFIS
AYAMCAGEAAVADLSFAAKHAALVSMGEMLPARRARGPNEPGGLSFGHLS
DIVQTSRVSEDPAKIALEVVGAGCMLYDQIWLGSYMSGGVGFTQYATAAY
TDDILDNNTYYDVDYINDKYNGAATVGKDNKVKASLEVVKDIATESTLYG
IETYEKFPTALEDHFGGSQRATVLAAAAGVACSLATGNANAGLSGWYLSM
YLHKEAWGRLGFFGFDLQDQCGATNVLSYQGDEGLPDELRGPNYPNYAMN
VGHQGGYAGIAQAAHSGRGDAFTVNPLLKVCFADDLLPFNFAEPRREFGR
GAIREFVPAGERSLVIPA
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 D Residue 5572 [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)		Y4346 F4463 F4464
Binding residue
(residue number reindexed from 1)		Y345 F462 F463
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) Q4161 Y4346 G4465 N4501
Catalytic site (residue number reindexed from 1) Q160 Y345 G464 N500
Enzyme Commision number 2.8.4.1: coenzyme-B sulfoethylthiotransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0046872 metal ion binding
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
UniProtP07962|MCRA_METBF Methyl-coenzyme M reductase subunit alpha (Gene Name=mcrA)

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