Structure of PDB 8q25 Chain n Binding Site BS01

Receptor Information
>8q25 Chain n (length=171) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YLTHQQKVLRLYKRALRHLESWCIHRDKYRYFACLLRARFDEHKNEKDMV
KATQLLREAEEEFWHGQHPQPYIFPESPGGTSYERYECYKVPEWCLDDWH
PSEKAMYPDYFAKREQWKKLRRESWEREVKQLQEETPVGGPRTEALPPAR
KQGDLPPLWWHIVTRPRERPM
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 chain8q25 Chain U Residue 101 [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]
PDB8q25 Structure of complex I embedded in liposomes reveals mechanism of active/deactive transition
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H11 Q12 V15 A22 L26 W29 R46 F47 N52 E69 F70
Binding residue
(residue number reindexed from 1)		H4 Q5 V8 A15 L19 W22 R39 F40 N45 E62 F63
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0032981 mitochondrial respiratory chain complex I assembly
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:8q25, PDBe:8q25, PDBj:8q25
PDBsum8q25
PubMed38870289
UniProtQ02369|NDUB9_BOVIN NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9 (Gene Name=NDUFB9)

[Back to BioLiP]