Structure of PDB 5odi Chain I Binding Site BS02

Receptor Information

>5odi Chain I (length=183) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MIYSSDLNKNLASQIIEAGTPIPGDDVVSSLKACYQCGTCTGSCPSGRRT
SYRTRKVIRKALLGMDDVLDSDDIWKCTTCYTCYERCPRDVKVTEIIKTI
RNLAAQKGNMAKAHKMTAMYVLKYGHAVPANKNTAELRKSIGLSEKAPIA
QFSEKDLNEMNTLIKELGFDELIGFDWEKGALK

Ligand information

InChI=1S/4Fe.4S

LJBDFODJNLIPKO-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385	S1[Fe]S[Fe]1.S2[Fe]S[Fe]2

Formula

Fe4 S4

Name

IRON/SULFUR CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

5odi Chain I Residue 202 [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	5odi Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	C44 P45 Y52 T54 C77 T78 T79 C80 Y81 C83
Binding residue (residue number reindexed from 1)	C44 P45 Y52 T54 C77 T78 T79 C80 Y81 C83
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:0046872	metal ion binding
GO:0051536	iron-sulfur cluster binding
GO:0051539	4 iron, 4 sulfur cluster binding
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:5odi, PDBe:5odi, PDBj:5odi
PDBsum	5odi
PubMed	28818947
UniProt	A0A2D0TC97

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