Structure of PDB 8c2s Chain n Binding Site BS01

Receptor Information
>8c2s Chain n (length=177) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFCAPPAYLTHQQKVLRLYKRALRHLESWCIHRDKYRYFACLMRARFEEH
KNEKDMMRATQLLREAEEEFWQNQHPQPYIFPDSPGGTSFERYECYKVPE
WCLDYWHPSEKAMYPDYFSKREQWKKLRMESWDREVKQLQEETSPDGIMT
EALPPARREGDLPPLWWHIVTRPRERP
Ligand information
Ligand IDEHZ
InChIInChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1
InChIKeyJYSKQPQRUCZFIQ-REWPJTCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)O
CACTVS 3.385CCCCCCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
CACTVS 3.385CCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O
FormulaC25 H49 N2 O9 P S
Name~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate
ChEMBL
DrugBank
ZINC
PDB chain8c2s Chain U Residue 201 [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]
PDB8c2s Cryo-EM structure NDUFS4 knockout complex I from Mus musculus heart (Class 1).
Resolution3.9 Å
Binding residue
(original residue number in PDB)		H11 V15 H25 L26 M43 R46 F47 H50 K51 L62 A66 E69
Binding residue
(residue number reindexed from 1)		H11 V15 H25 L26 M43 R46 F47 H50 K51 L62 A66 E69
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006120 mitochondrial electron transport, NADH to ubiquinone
GO:0009060 aerobic respiration
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:0042776 proton motive force-driven mitochondrial ATP synthesis
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8c2s, PDBe:8c2s, PDBj:8c2s
PDBsum8c2s
PubMed38177503
UniProtQ9CQJ8|NDUB9_MOUSE NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9 (Gene Name=Ndufb9)

[Back to BioLiP]