Structure of PDB 8tq0 Chain A Binding Site BS01

Receptor Information
>8tq0 Chain A (length=354) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIPA
RLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYTC
ALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAAL
TARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDGA
FFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIAR
EFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIIL
EGGYNLTSISESMSMCTSMLLGDSPPSLDTPLKTSATVSINNVLRAHAPF
WSSL
Ligand information
Ligand IDRED
InChIInChI=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
InChIKeyIZFHEQBZOYJLPK-SSDOTTSWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CC(CCS)S
OpenEye OEToolkits 1.5.0C(CCC(=O)O)C[C@H](CCS)S
ACDLabs 10.04O=C(O)CCCCC(S)CCS
CACTVS 3.341OC(=O)CCCC[C@@H](S)CCS
CACTVS 3.341OC(=O)CCCC[CH](S)CCS
FormulaC8 H16 O2 S2
NameDIHYDROLIPOIC ACID
ChEMBLCHEMBL1235647
DrugBankDB03760
ZINCZINC000003869601
PDB chain8tq0 Chain A Residue 801 [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]
PDB8tq0 Crystal structure of Danio reroof histone deacetylase 6 catalytic domain 2 complexed with (R)-Lipoic Acid
Resolution2.4 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 score4
Enzymatic activity
Enzyme Commision number ?
External links