Structure of PDB 5odq Chain B Binding Site BS04

Receptor Information
>5odq Chain B (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 ID9SB
InChIInChI=1S/C2H5BrO3S/c3-1-2-7(4,5)6/h1-2H2,(H,4,5,6)
InChIKeyOQFSYHWITGFERZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CBr)S(=O)(=O)O
CACTVS 3.385O[S](=O)(=O)CCBr
FormulaC2 H5 Br O3 S
Name2-bromanylethanesulfonic acid
ChEMBL
DrugBank
ZINCZINC000004261812
PDB chain5odq Chain B Residue 304 [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]
PDB5odq Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		R201 L236
Binding residue
(residue number reindexed from 1)		R201 L236
Annotation score2
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:5odq, PDBe:5odq, PDBj:5odq
PDBsum5odq
PubMed28818947
UniProtA0A2D0TCB4

[Back to BioLiP]