Structure of PDB 2vcg Chain C Binding Site BS02

Receptor Information

>2vcg Chain C (length=368) Species: 512 (Alcaligenes sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AIGYVWNTLYGWVDTGTGSLAAANLTARMQPISHHLAHPDTKRRFHELVC
ASGQIEHLTPIAAVAATDADILRAHSAAHLENMKRVSNLPTGGDTGDGIT
MMGNGGLEIARLSAGGAVELTRRVATGELSAGYALVNPPGHHAPHNAAMG
FCIFNNTSVAAGYARAVLGMERVAILDWDVHHGNGTQDIWWNDPSVLTIS
LHQHLCFPPDSGYSTERGAGNGHGYNINVPLPPGSGNAAYLHAMDQVVLP
ALRAYRPQLIIVGSGFDASMLDPLARMMVTADGFRQMARRTIDCAADICD
GRIVFVQEGGYSPHYLPFCGLAVIEELTGVRSLPDPYHEFLAGMGGNTLL
DAERAAIEEIVPLLADIR

Ligand information

Ligand ID

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

Name

ZINC ION

PDB chain

2vcg Chain C Residue 1377 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2vcg Phenylalanine-Containing Hydroxamic Acids as Selective Inhibitors of Class Iib Histone Deacetylases (Hdacs).
Resolution	1.9 Å
Binding residue (original residue number in PDB)	D186 H188 D274
Binding residue (residue number reindexed from 1)	D179 H181 D267
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.5.1.-

Gene Ontology

	Molecular Function
GO:0004407	histone deacetylase activity
GO:0016787	hydrolase activity
GO:0046872	metal ion binding

	Biological Process
GO:0000122	negative regulation of transcription by RNA polymerase II
GO:0006338	chromatin remodeling

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Molecular Function

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Biological Process

External links

PDB	RCSB:2vcg, PDBe:2vcg, PDBj:2vcg
PDBsum	2vcg
PubMed	18054239
UniProt	Q70I53\|HDAH_ALCSD Histone deacetylase-like amidohydrolase (Gene Name=hdaH)

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