Structure of PDB 7kus Chain A Binding Site BS01

Receptor Information
>7kus Chain A (length=638) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AASGSALIFDEEMSRYKLLWTDPECEIEVPERLTVSYEALRTHGLAQRCK
AVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNAVYFHQN
IYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHASQRSAANGFCVFN
NVAFAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYE
HQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLP
VAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMC
VVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRN
VQSSYWSSFKHLAQSEDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQ
HSDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCN
GCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQ
ICTKETEDKCVNRLTLCLREGESLTAGFMQALLGLILPVAYEFNPALVLG
IVEETRLMRVWGHMTCLIQGLARGRMLTLLQGYDKDLLELTVSALSGASI
SPLGPRAPKPEDVEMMEKQRQRLQERWGLLRCTVSESW
Ligand information
Ligand IDX54
InChIInChI=1S/C9H23N3O2/c1-9(13,14)12-8-3-2-6-11-7-4-5-10/h11-14H,2-8,10H2,1H3
InChIKeyWAYWJVQKELFVTE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(NCCCCNCCCN)(O)O
CACTVS 3.385CC(O)(O)NCCCCNCCCN
ACDLabs 12.01C(CCNCCCCNC(C)(O)O)N
FormulaC9 H23 N3 O2
Name1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol
ChEMBL
DrugBank
ZINC
PDB chain7kus Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kus X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E24 H136 G145 F146 H176 W205 Y307
Binding residue
(residue number reindexed from 1)		E24 H136 G145 F146 H176 W205 Y307
Annotation score2
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:7kus, PDBe:7kus, PDBj:7kus
PDBsum7kus
PubMed33449614
UniProtF1QCV2|HDA10_DANRE Polyamine deacetylase HDAC10 (Gene Name=hdac10)

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