Structure of PDB 5odq Chain H Binding Site BS02

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

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

5odq 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	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)	N79 G152 C153 H154 C193 C194 C231 F233 C234
Binding residue (residue number reindexed from 1)	N79 G152 C153 H154 C193 C194 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:5odq, PDBe:5odq, PDBj:5odq
PDBsum	5odq
PubMed	28818947
UniProt	A0A2D0TCB4

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