Structure of PDB 5odh Chain H Binding Site BS03

Receptor Information
>5odh Chain H (length=291) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKYAFFLGCIMPNRYAGVEAATRTVMEKLGVELVDMTGASCCPAPGVFGS
FDQKTWLTLAARNLCIAEEMGVDIVTVCNGCYGSLFEAAHLLHDNKEALN
FVNEKLDKVGKEYKGNVKVRHFAELIYNDIGVDKIAEKVERPLNINVGVH
YGCHFLKPTDVKHLGSAERPVMLDEIVEATGAKSVPYADKMMCCGAGGGV
RARELELSLDMTNEKIENMIKAGADCTVNVCPFCHLQFDRGQIEIKEKFG
KEYNFPVLHLSQLLGLAMGMDPKDLALSVHQISVDPLLKKI
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 chain5odh Chain H Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5odh Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A44 P45 G46 G80 H154 G197 G198
Binding residue
(residue number reindexed from 1)		A44 P45 G46 G80 H154 G197 G198
Annotation score5
Enzymatic activity
Enzyme Commision number 1.8.98.1: dihydromethanophenazine:CoB--CoM heterodisulfide reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0051912 CoB--CoM heterodisulfide reductase activity
Biological Process
GO:0015948 methanogenesis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5odh, PDBe:5odh, PDBj:5odh
PDBsum5odh
PubMed28818947
UniProtA0A2D0TCB4

[Back to BioLiP]