Structure of PDB 6rfs Chain B Binding Site BS02

Receptor Information
>6rfs Chain B (length=456) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RQYGGLKDQDRIFQNLYDNYGWDLASARKQGDWYKTKELILKGDTWIIDE
IKKSGLRGRGGAGFPSGLKWSFMNPPGWEKNEGPRYLVVNADEGEPGTCK
DREIMRKDPHKLVEGCLLAGRAMNATAAYIYIRGEFYNEAAVLQTAINEA
YAAGLIGKDACGSGYDFDVYIHRGMGAYVCGEETSLIESLEGKAGKPRLK
PPFPAGVGLFGRPSTVTNVETVAVAPTILRRGGDWFASFGRERNSGTKLF
CISGNVNEPCTVEEEMSIPLRELLEKHCGGIKGGWDNLLGVIPGGCSVPI
LPKNICEDVLMDFDALKDVQSGLGTAAVIVINKQQDVIRAIQRFAAFYKH
ESCGQCTPCREGTTWLLKAMDRFRTGQAKEREIDMLYELTKDIEGHTICA
LGDAAAWPIQGLIRNFRPEMETRMKKFHDEVGAVSVGGWMKDARVEKGKV
VGAPLP
Ligand information
Ligand IDFMN
InChIInChI=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
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain6rfs Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6rfs High-resolution cryo-EM structures of respiratory complex I: Mechanism, assembly, and disease.
Resolution4.04 Å
Binding residue
(original residue number in PDB)		G86 G88 A90 K97 N118 D120 G209 E210 E211 T245 N246
Binding residue
(residue number reindexed from 1)		G58 G60 A62 K69 N90 D92 G181 E182 E183 T217 N218
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6rfs, PDBe:6rfs, PDBj:6rfs
PDBsum6rfs
PubMed31844670
UniProtF2Z660

[Back to BioLiP]