Structure of PDB 5odq Chain H Binding Site BS03

Receptor Information
>5odq 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 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 H Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5odq Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		A44 P45 G46 V47 G80 G197 G198 F233
Binding residue
(residue number reindexed from 1)		A44 P45 G46 V47 G80 G197 G198 F233
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5odq, PDBe:5odq, PDBj:5odq
PDBsum5odq
PubMed28818947
UniProtA0A2D0TCB4

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