Structure of PDB 6tdv Chain N Binding Site BS01
Receptor Information
>6tdv Chain N (length=131) Species:
3039
(Euglena gracilis) [
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PLPNAVVQGYTSVRGPKRPLDHFYGRTPLNIDTLWHWVKFPHRYDNLRFA
VCFWAFLVSAHFANKKQRNLRVEWEKNMEIQKKLHPSGLWSEEQAFAAAE
KLGRPKAGHPMRVFEDGYQQFDLKPKLFDPD
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
ChEMBL
DrugBank
DB02080
ZINC
ZINC000005885272
PDB chain
6tdv Chain N Residue 201 [
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Receptor-Ligand Complex Structure
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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)
L35 W38
Binding residue
(residue number reindexed from 1)
L34 W37
Annotation score
1
External links
PDB
RCSB:6tdv
,
PDBe:6tdv
,
PDBj:6tdv
PDBsum
6tdv
PubMed
31738165
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