Structure of PDB 5odc Chain B Binding Site BS02

Receptor Information

>5odc 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

InChI=1S/4Fe.4S

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

5odc Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5odc Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution	2.3 Å
Binding residue (original residue number in PDB)	G8 C9 I10 C41 C42 C78 G80 C81
Binding residue (residue number reindexed from 1)	G8 C9 I10 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:5odc, PDBe:5odc, PDBj:5odc
PDBsum	5odc
PubMed	28818947
UniProt	A0A2D0TCB4

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