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BioLiP

Structure of PDB 7sgk Chain A Binding Site BS01

Receptor Information
>7sgk Chain A (length=639) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AASGSALIFDEEMSRYKLLWTDPECEIEVPERLTVSYEALRTHGLAQRCK
AVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNAVYFHQN
IYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFN
NVAFAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYE
HQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLP
VAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMC
VVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRN
VQSSYWSSFKHLAQSETNIVWPEPLKRMPASVRTVVVPPPGVELTLPKNC
QHSISESTAKEVQRIRDKHFDLTDQNILRSLGNIISVLDRMMRSDEVCNG
CVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQI
CTKETEDKCVNRLTLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGI
VEETTRLMRVWGHMTCLIQGLARGRMLTLLQGYDKDLLELTVSALSGASI
SPLGPLRAPKPEDVEMMEKQRQRLQERWGLLRCTVSESW
Ligand information
Ligand ID9A9
InChIInChI=1S/C14H21N3O3/c1-17(10-5-8-13(18)16-20)11-9-15-14(19)12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,19)(H,16,18)
InChIKeyWOJAVXMANLPPBT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN(CCCC(=O)NO)CCNC(=O)c1ccccc1
ACDLabs 12.01O=C(NCCN(C)CCCC(=O)NO)c1ccccc1
FormulaC14 H21 N3 O3
NameN-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide
ChEMBL
DrugBank
ZINC
PDB chain7sgk Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sgk Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H136 H137 F146 D174 H176 F204 W205 E274 Y307
Binding residue
(residue number reindexed from 1)		H136 H137 F146 D174 H176 F204 W205 E274 Y307
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.48: acetylspermidine deacetylase.
3.5.1.62: acetylputrescine deacetylase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0019213 deacetylase activity
GO:0033558 protein lysine deacetylase activity
GO:0046872 metal ion binding
GO:0047609 acetylputrescine deacetylase activity
GO:0047611 acetylspermidine deacetylase activity
Biological Process
GO:0016236 macroautophagy
GO:0035825 homologous recombination
GO:0036269 swimming behavior
GO:0040029 epigenetic regulation of gene expression
GO:0090043 regulation of tubulin deacetylation
GO:0106047 polyamine deacetylation
GO:0106048 spermidine deacetylation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7sgk, PDBe:7sgk, PDBj:7sgk
PDBsum7sgk
PubMed36200994
UniProtF1QCV2|HDA10_DANRE Polyamine deacetylase HDAC10 (Gene Name=hdac10)

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