Structure of PDB 5li3 Chain B Binding Site BS02

Receptor Information

>5li3 Chain B (length=368) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RRTAFFFDELCLWHAAGPHALTLPVGGWVQPPAAAGHAESPETKRRLKSL
LDVSGLTARLQLRSAPPASDEDLLRVHPAHYLERFKALSDAGGGSLGQDA
PIGPGSYEIARLSAGLAIAALDAVLAGEADNAYSLSRPPGHHCLPDQAMG
FCFFANIAVAIEAAKARHGVERVAVLDWDVHHGNGTQAIYYRRDDVLSIS
LHQDGCFPPGYSGAEDIGEDRGRGFNLNVPLLPGGGHDAYMQAMQRIVLP
ALERFRPQLIVVASGFDANAVDPLARMQLHSDSFRAMTAMVRDAAERHAG
GRLVVVHEGGYSEAYVPFCGLAVIEELSGVRSAVRDPLRDFIELQQPNAA
FRDFQRQRLEELAAQFGL

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

5li3 Chain B Residue 401 [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	5li3 Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	D181 H183 D269
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:0040029	epigenetic regulation of gene expression

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Molecular Function

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Biological Process

External links

PDB	RCSB:5li3, PDBe:5li3, PDBj:5li3
PDBsum	5li3
PubMed	27756124
UniProt	Q9HXM1\|HDAH_PSEAE Histone deacetylase-like amidohydrolase (Gene Name=PA3774)

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