Structure of PDB 8b9z Chain F Binding Site BS01

Receptor Information

>8b9z Chain F (length=441) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PPPGTPPPQTKTKFGPLADEDRIFTNLYGRHDWRLKGALKRGDWYKTKEI
VLKGADWIVNEIKTSGLRGRGGAGFPSGMKWSFMNKPGDGRPKYLVVNAD
EGEPGTCKDREIMRHDPHKLVEGCLIAGRAMGAQAAYIYIRGEFYNEASN
MQLAIAEAYQAGLIGKNACGTGYDFDVFMHRGAGAYICGEETALIESLEG
KQGKPRLKPPFPADVGVFGCPTTVTNVETVAVAPTICRRGGVWFASFGRT
RNSGTKLFNISGHVNRPCTVEEEMSIPLKELIERHCGGVTGGWDNLLGVI
PGGSSTPIIPKNVCDDVIMDFDGLIAAQTSLGTAAIIVMDKSTDVIKAIA
RLISFYKHESCGQCTPCREGIGWMNKIMTRFVKGDAQPAEIDMLWEISKQ
IEGHTICALGDGAAWPVQGLIRHFRPEIEKRMQLHAKRVSN

Ligand information

Ligand ID

FMN

InChI

InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1

InChIKey

FVTCRASFADXXNN-SCRDCRAPSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01	N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C

Formula

C17 H21 N4 O9 P

Name

FLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE

PDB chain

8b9z Chain F Residue 501 [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	8b9z Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Resolution	3.28 Å
Binding residue (original residue number in PDB)	G102 G104 K113 N131 D133 G222 E224 N259 A441 L442
Binding residue (residue number reindexed from 1)	G69 G71 K80 N98 D100 G189 E191 N226 A408 L409
Annotation score	1

Enzymatic activity

Enzyme Commision number

7.1.1.2: NADH:ubiquinone reductase (H(+)-translocating).

Gene Ontology

	Molecular Function
GO:0008137	NADH dehydrogenase (ubiquinone) activity
GO:0010181	FMN binding
GO:0046872	metal ion binding
GO:0051287	NAD binding
GO:0051539	4 iron, 4 sulfur cluster binding

	Biological Process
GO:0006120	mitochondrial electron transport, NADH to ubiquinone
GO:1902600	proton transmembrane transport

	Cellular Component
GO:0005739	mitochondrion
GO:0005743	mitochondrial inner membrane
GO:0045271	respiratory chain complex I

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Cellular Component

External links

PDB	RCSB:8b9z, PDBe:8b9z, PDBj:8b9z
PDBsum	8b9z
PubMed	36622099
UniProt	Q9VMI3

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