Structure of PDB 7o71 Chain B Binding Site BS02

Receptor Information

>7o71 Chain B (length=455) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QYGGLKDQDRIFQNLYDNYGWDLASARKQGDWYKTKELILKGDTWIIDEI
KKSGLRGRGGAGFPSGLKWSFMNPPGWEKNEGPRYLVVNADEGEPGTCKD
REIMRKDPHKLVEGCLLAGRAMNATAAYIYIRGEFYNEAAVLQTAINEAY
AAGLIGKDACGSGYDFDVYIHRGMGAYVCGEETSLIESLEGKAGKPRLKP
PFPAGVGLFGRPSTVTNVETVAVAPTILRRGGDWFASFGRERNSGTKLFC
ISGNVNEPCTVEEEMSIPLRELLEKHCGGIKGGWDNLLGVIPGGCSVPIL
PKNICEDVLMDFDALKDVQSGLGTAAVIVINKQQDVIRAIQRFAAFYKHE
SCGQCTPCREGTTWLLKAMDRFRTGQAKEREIDMLYELTKDIEGHTICAL
GDAAAWPIQGLIRNFRPEMETRMKKFHDEVGAVSVGGWMKDARVEKGKVV
GAPLP

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

7o71 Chain B Residue 502 [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	7o71 High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	G86 R87 G88 K97 N118 E121 Y206 G209 E210 T245 N246 A428 L429
Binding residue (residue number reindexed from 1)	G57 R58 G59 K68 N89 E92 Y177 G180 E181 T216 N217 A399 L400
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: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:7o71, PDBe:7o71, PDBj:7o71
PDBsum	7o71
PubMed	34767441
UniProt	F2Z660

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