Structure of PDB 5een Chain B Binding Site BS01
Receptor Information
>5een Chain B (length=353) Species:
7955
(Danio rerio) [
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PITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIPA
RLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYTC
ALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAAL
TARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDGA
FFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIAR
EFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIIL
EGGYNLTSISESMSMCTSMLLGDSPPSLPLKTSATVSINNVLRAHAPFWS
SLR
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
5een Chain B Residue 803 [
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Receptor-Ligand Complex Structure
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PDB
5een
Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Resolution
1.861 Å
Binding residue
(original residue number in PDB)
D612 H614 D705
Binding residue
(residue number reindexed from 1)
D171 H173 D264
Annotation score
1
Enzymatic activity
Enzyme Commision number
3.5.1.98
: histone deacetylase.
External links
PDB
RCSB:5een
,
PDBe:5een
,
PDBj:5een
PDBsum
5een
PubMed
27454933
UniProt
F8W4B7
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