Structure of PDB 3ewf Chain D Binding Site BS05
Receptor Information
>3ewf Chain D (length=364) Species:
9606
(Homo sapiens) [
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LVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVAS
MEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAA
AIGGATITAAQCLIDGMCKVAINWSGGWHAAKKDEASGFCYLNDAVLGIL
RLRRKFERILYVDLDLHHGDGVEDAFSFTSKVMTVSLHKFSPGFFPGTGD
VSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQ
LGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGYNLANTAR
CWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQ
QILNYIKGNLKHVV
Ligand information
Ligand ID
MCM
InChI
InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
InChIKey
GLNDAGDHSLMOKX-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC1=CC(=O)Oc2c1ccc(c2)N
CACTVS 3.341
CC1=CC(=O)Oc2cc(N)ccc12
ACDLabs 10.04
O=C2Oc1cc(ccc1C(=C2)C)N
Formula
C10 H9 N O2
Name
7-AMINO-4-METHYL-CHROMEN-2-ONE;
7-AMINO-4-METHYLCOUMARIN
ChEMBL
CHEMBL270672
DrugBank
DB08168
ZINC
ZINC000000057949
PDB chain
3ewf Chain L Residue 6 [
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Receptor-Ligand Complex Structure
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PDB
3ewf
Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
K33 Y100 D101 F152
Binding residue
(residue number reindexed from 1)
K20 Y87 D88 F139
Annotation score
1
Enzymatic activity
Enzyme Commision number
3.5.1.-
3.5.1.98
: histone deacetylase.
Gene Ontology
Molecular Function
GO:0004407
histone deacetylase activity
GO:0005515
protein binding
GO:0016787
hydrolase activity
GO:0030544
Hsp70 protein binding
GO:0033558
protein lysine deacetylase activity
GO:0046872
metal ion binding
GO:0051879
Hsp90 protein binding
GO:0140297
DNA-binding transcription factor binding
GO:0160008
protein decrotonylase activity
GO:0160009
histone decrotonylase activity
Biological Process
GO:0000122
negative regulation of transcription by RNA polymerase II
GO:0006325
chromatin organization
GO:0007064
mitotic sister chromatid cohesion
GO:0031397
negative regulation of protein ubiquitination
GO:0031647
regulation of protein stability
GO:0032204
regulation of telomere maintenance
GO:0040029
epigenetic regulation of gene expression
Cellular Component
GO:0000118
histone deacetylase complex
GO:0000228
nuclear chromosome
GO:0005634
nucleus
GO:0005654
nucleoplasm
GO:0005694
chromosome
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:3ewf
,
PDBe:3ewf
,
PDBj:3ewf
PDBsum
3ewf
PubMed
19053282
UniProt
Q9BY41
|HDAC8_HUMAN Histone deacetylase 8 (Gene Name=HDAC8)
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