Structure of PDB 8q50 Chain A Binding Site BS01

Receptor Information

>8q50 Chain A (length=277) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EIAPDAKKVAIYGKGGIGKSTTTQNTAAALAYFFDKKVMIHGCDPKADST
RMILHGKPQDTVMDVLREEGEEAVTLEKVRKIGFKDILCVESGGPEPGVG
CAGRGVITAVDMMRELEGYPDDLDNLFFDVLGDVVCGGFAMPLRDGLAQE
IYIVTSGEMMALYAANNIAKGILKYAEQSGVRLGGIICNARNVDGEKELM
DEFCDKLGTKLIHYVPRDNIVQKAEFNKMTVIEFDPECNQAKEYRTLAKN
IDENDELVKPTPMTMDELEELVVKYGL

Ligand information

InChI=1S/2Fe.2S

NIXDOXVAJZFRNF-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	[Fe]1S[Fe]S1
CACTVS 3.341 OpenEye OEToolkits 1.5.0	S1[Fe]S[Fe]1

Formula

Fe2 S2

Name

FE2/S2 (INORGANIC) CLUSTER

ChEMBL

DrugBank

ZINC

PDB chain

8q50 Chain A 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	8q50 Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Resolution	1.91 Å
Binding residue (original residue number in PDB)	C105 A106 C140 G142
Binding residue (residue number reindexed from 1)	C101 A102 C136 G138
Annotation score	3

Enzymatic activity

Enzyme Commision number

1.18.6.1: nitrogenase.

Gene Ontology

	Molecular Function
GO:0005524	ATP binding
GO:0016163	nitrogenase activity
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding
GO:0051539	4 iron, 4 sulfur cluster binding

	Biological Process
GO:0009399	nitrogen fixation

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Molecular Function

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Biological Process

External links

PDB	RCSB:8q50, PDBe:8q50, PDBj:8q50
PDBsum	8q50
PubMed	38696373
UniProt	P25767\|NIFH1_METTL Nitrogenase iron protein 1 (Gene Name=nifH1)

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