Structure of PDB 5odc Chain H Binding Site BS02

Receptor Information

>5odc 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

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 H 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)	C153 C193 C194 G197 C231 F233 C234
Binding residue (residue number reindexed from 1)	C153 C193 C194 G197 C231 F233 C234
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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