Structure of PDB 5odq Chain H Binding Site BS01
Receptor Information
>5odq Chain H (length=291) Species:
523845
(Methanothermococcus thermolithotrophicus DSM 2095) [
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MKYAFFLGCIMPNRYAGVEAATRTVMEKLGVELVDMTGASCCPAPGVFGS
FDQKTWLTLAARNLCIAEEMGVDIVTVCNGCYGSLFEAAHLLHDNKEALN
FVNEKLDKVGKEYKGNVKVRHFAELIYNDIGVDKIAEKVERPLNINVGVH
YGCHFLKPTDVKHLGSAERPVMLDEIVEATGAKSVPYADKMMCCGAGGGV
RARELELSLDMTNEKIENMIKAGADCTVNVCPFCHLQFDRGQIEIKEKFG
KEYNFPVLHLSQLLGLAMGMDPKDLALSVHQISVDPLLKKI
Ligand information
Ligand ID
9S8
InChI
InChI=1S/4Fe.4S
InChIKey
LJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.6
S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2
CACTVS 3.385
S1[Fe]S[Fe]S[Fe]S[Fe]1
Formula
Fe4 S4
Name
Non-cubane [4Fe-4S]-cluster
ChEMBL
DrugBank
ZINC
PDB chain
5odq Chain H Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
5odq
Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution
2.15 Å
Binding residue
(original residue number in PDB)
G8 C9 C41 C42 C78 G80 C81
Binding residue
(residue number reindexed from 1)
G8 C9 C41 C42 C78 G80 C81
Annotation score
1
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
PDBsum
5odq
PubMed
28818947
UniProt
A0A2D0TCB4
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