Structure of PDB 8tq0 Chain B Binding Site BS01
Receptor Information
>8tq0 Chain B (length=353) Species:
7955
(Danio rerio) [
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PITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIPA
RLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYTC
ALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAAL
TARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDGA
FFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIAR
EFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIIL
EGGYNLTSISESMSMCTSMLLGDSPPSLDPLKTSATVSINNVLRAHAPFW
SSL
Ligand information
Ligand ID
RED
InChI
InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1
InChIKey
IZFHEQBZOYJLPK-SSDOTTSWSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(CCC(=O)O)CC(CCS)S
OpenEye OEToolkits 1.5.0
C(CCC(=O)O)C[C@H](CCS)S
ACDLabs 10.04
O=C(O)CCCCC(S)CCS
CACTVS 3.341
OC(=O)CCCC[C@@H](S)CCS
CACTVS 3.341
OC(=O)CCCC[CH](S)CCS
Formula
C8 H16 O2 S2
Name
DIHYDROLIPOIC ACID
ChEMBL
CHEMBL1235647
DrugBank
DB03760
ZINC
ZINC000003869601
PDB chain
8tq0 Chain B Residue 801 [
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Receptor-Ligand Complex Structure
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PDB
8tq0
Crystal structure of Danio reroof histone deacetylase 6 catalytic domain 2 complexed with (R)-Lipoic Acid
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
H574 G582 F583 D612 H614 F643 Y745
Binding residue
(residue number reindexed from 1)
H133 G141 F142 D171 H173 F202 Y304
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:8tq0
,
PDBe:8tq0
,
PDBj:8tq0
PDBsum
8tq0
PubMed
37703993
UniProt
F8W4B7
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