Structure of PDB 6tdv Chain M Binding Site BS01

Receptor Information

>6tdv Chain M (length=166) Species: 3039 (Euglena gracilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SLAKVWMYASWIPRGIPKAMANELSSAAAALAHPEAIARVAQLESQGKNP
YRVARAEFWQMYLACWPYRFRNTVVEWETCKAKVLKGSVDLQDIVDLLYL
LAWAYLFWILGEIYGRGSLYGYRFDGEIHRQEAQNVILYKEKEAQEMAVV
MEKLEKEIQEWLKTME

Ligand information

Ligand ID

TRT

InChI

InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3

InChIKey

HEUDUECKTWTQQR-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC
CACTVS 3.341	COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C
OpenEye OEToolkits 1.5.0	CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC

Formula

C21 H36 O4

Name

FRAGMENT OF TRITON X-100;
1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE

PDB chain

6tdv Chain M Residue 202 [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	6tdv Structure of a mitochondrial ATP synthase with bound native cardiolipin.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	Y106 E113
Binding residue (residue number reindexed from 1)	Y105 E112
Annotation score	1

External links

PDB	RCSB:6tdv, PDBe:6tdv, PDBj:6tdv
PDBsum	6tdv
PubMed	31738165

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