Structure of PDB 8q5t Chain D Binding Site BS01

Receptor Information

>8q5t Chain D (length=280) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SFDEIAPDAKKVAIYGKGGIGKSTTTQNTAAALAYFFDKKVMIHGCDPKA
DSTRMILHGKPQDTVMDVLREEGEEAVTLEKVRKIGFKDILCVESGGPEP
GVGCAGRGVITAVDMMRELEGYPDDLDNLFFDVLGDVVCGGFAMPLRDGL
AQEIYIVTSGEMMALYAANNIAKGILKYAEQSGVRLGGIICNARNVDGEK
ELMDEFCDKLGTKLIHYVPRDNIVQKAEFNKMTVIEFDPECNQAKEYRTL
AKNIDENDELVKPTPMTMDELEELVVKYGL

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

8q5t Chain D Residue 301 [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	8q5t Structural comparison of (hyper-)thermophilic nitrogenase reductases from three marine Methanococcales.
Resolution	2.31 Å
Binding residue (original residue number in PDB)	C105 A106 C140 G142 F143
Binding residue (residue number reindexed from 1)	C104 A105 C139 G141 F142
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:8q5t, PDBe:8q5t, PDBj:8q5t
PDBsum	8q5t
PubMed	38696373
UniProt	P25767\|NIFH1_METTL Nitrogenase iron protein 1 (Gene Name=nifH1)

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