Structure of PDB 2uv0 Chain E Binding Site BS01

Receptor Information

>2uv0 Chain E (length=163) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GFLELERSSGKLEWSAILQKMASDLGFSKILFGLLPKDSQDYENAFIVGN
YPAAWREHYDRAGYARVDPTVSHCTQSVLPIFWEPSIYQTRKQHEFFEEA
SAAGLVYGLTMPLHGARGELGALSLSVEAENRAEANRFMESVLPTLWMLK
DYALQSGAGLAFE

Ligand information

Ligand ID

OHN

InChI

InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1

InChIKey

PHSRRHGYXQCRPU-AWEZNQCLSA-N

SMILES

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
OpenEye OEToolkits 1.5.0	CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O
ACDLabs 10.04	O=C1OCCC1NC(=O)CC(=O)CCCCCCCCC
CACTVS 3.341	CCCCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O

Formula

C16 H27 N O4

Name

N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE

PDB chain

2uv0 Chain E Residue 1169 [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	2uv0 Molecular Insights Into Quorum Sensing in the Human Pathogen Pseudomonas Aeruginosa from the Structure of the Virulence Regulator Lasr Bound to its Autoinducer.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	Y47 A50 Y56 W60 Y64 D73 T75 W88 Y93 A105 S129
Binding residue (residue number reindexed from 1)	Y42 A45 Y51 W55 Y59 D68 T70 W83 Y88 A100 S124
Annotation score	1
Binding affinity	BindingDB: EC50=139nM

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:2uv0, PDBe:2uv0, PDBj:2uv0
PDBsum	2uv0
PubMed	17363368
UniProt	P25084\|LASR_PSEAE Transcriptional activator protein LasR (Gene Name=lasR)

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