Structure of PDB 8rgt Chain T Binding Site BS01

Receptor Information
>8rgt Chain T (length=79) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTLDGIKDRVLYVLKLYDKIDPEKLSVNSHFMKDLGLDSLDQVEIIMAME
DEFGFEIPDIDAEKLMCPQEIVDYIADKK
Ligand information
Ligand IDZMP
InChIInChI=1S/C25H49N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29)37-19-18-26-21(28)16-17-27-24(31)23(30)25(2,3)20-35-36(32,33)34/h23,30H,4-20H2,1-3H3,(H,26,28)(H,27,31)(H2,32,33,34)/t23-/m1/s1
InChIKeyHDTINWYIVVMRIN-HSZRJFAPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
ACDLabs 12.01OP(=O)(OCC(C(C(NCCC(=O)NCCSC(=O)CCCCCCCCCCCCC)=O)O)(C)C)O
CACTVS 3.385CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O
FormulaC25 H49 N2 O8 P S
NameS-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
ChEMBL
DrugBank
ZINCZINC000145431082
PDB chain8rgt Chain T Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8rgt SCAF1 drives the compositional diversity of mammalian respirasomes.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D43 S44
Binding residue
(residue number reindexed from 1)		D38 S39
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0140978 mitochondrial large ribosomal subunit binding
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0009060 aerobic respiration
GO:0009249 protein lipoylation
GO:0016226 iron-sulfur cluster assembly
GO:0019752 carboxylic acid metabolic process
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:0042776 proton motive force-driven mitochondrial ATP synthesis
GO:0044571 [2Fe-2S] cluster assembly
Cellular Component
GO:0005654 nucleoplasm
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045271 respiratory chain complex I
GO:0099128 mitochondrial [2Fe-2S] assembly complex
GO:1902494 catalytic complex
GO:1990229 iron-sulfur cluster assembly complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8rgt, PDBe:8rgt, PDBj:8rgt
PDBsum8rgt
PubMed38575788
UniProtQ9CR21|ACPM_MOUSE Acyl carrier protein, mitochondrial (Gene Name=Ndufab1)

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