Structure of PDB 5ep3 Chain A Binding Site BS01

Receptor Information

>5ep3 Chain A (length=253) Species: 661 (Photobacterium angustum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GFIGNSLPMQAVYRVIESAASSKATVFITGESGTGKEVCAEAIHAASPRH
DKPFIALNCAAIPKDLIESELFGHVKGAFTGASTERQGAVEMAHNGTLML
DELCEMDLDLQSKLLRFIQTGTYQKVGSSKMSSVDVRFVCATNRNPWEEV
QEGRFREDLYYRLHVIPISLPPLRERGGDIIEIAHALLGLMSLEEGKSFS
RFSEPVLRLFESYSWPGNVRELQNVIRNIVVLNTDDEVKLEMVPPPILEH
HHH

Ligand information

Ligand ID

5QT

InChI

InChI=1S/C10H16N4O3S/c1-10(2,3)5-17-6(15)4-11-7-8(18)12-9(16)14-13-7/h4-5H2,1-3H3,(H,11,13)(H2,12,14,16,18)

InChIKey

REFYLRHEWINELP-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.4	CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S

Formula

C10 H16 N4 O3 S

Name

2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate

PDB chain

5ep3 Chain A 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	5ep3 Structure, Regulation, and Inhibition of the Quorum-Sensing Signal Integrator LuxO.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	F142 I143 T174 G175 R316 I323 V359 Q363
Binding residue (residue number reindexed from 1)	F2 I3 T34 G35 R176 I183 V219 Q223
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0005524	ATP binding
GO:0008134	transcription factor binding
GO:0016887	ATP hydrolysis activity

	Biological Process
GO:0006355	regulation of DNA-templated transcription

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Molecular Function

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Biological Process

External links

PDB	RCSB:5ep3, PDBe:5ep3, PDBj:5ep3
PDBsum	5ep3
PubMed	27219477
UniProt	Q1ZS18

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