PDBsum entry 2n2m

Membrane protein

PDB id: 2n2m

Contents

Protein chain

156 a.a.

PDB id:

2n2m

Name:

Membrane protein

Title:

Nmr structure of yersinia pestis ail (attachment invasion locus) in decylphosphocholine micelles

Structure:

Outer membrane protein x. Chain: a. Engineered: yes

Source:

Yersinia pestis. Organism_taxid: 632. Gene: ompx, y1324. Expressed in: escherichia coli. Expression_system_taxid: 562.

NMR struc:

10 models

Authors:

F.M.Marassi,Y.Ding,Y.Yao

Key ref:

F.M.Marassi et al. (2015). Backbone structure of Yersinia pestis Ail determined in micelles by NMR-restrained simulated annealing with implicit membrane solvation. J Biomol Nmr, 63, 59-65. PubMed id: 26143069 DOI: 10.1007/s10858-015-9963-2

Date:

10-May-15 Release date: 22-Jul-15

Protein chain

Q8D0Z7  (Q8D0Z7_YERPE) -  Outer membrane protein X from Yersinia pestis

Seq: 194 a.a.

Struc: 156 a.a.

Enzyme reactions

• Enzyme class: E.C.?

DOI no: 10.1007/s10858-015-9963-2

J Biomol Nmr 63:59-65 (2015)

PubMed id: 26143069

Backbone structure of Yersinia pestis Ail determined in micelles by NMR-restrained simulated annealing with implicit membrane solvation.

F.M.Marassi, Y.Ding, C.D.Schwieters, Y.Tian, Y.Yao.

ABSTRACT

The outer membrane protein Ail (attachment invasion locus) is a virulence factor of Yersinia pestis that mediates cell invasion, cell attachment and complement resistance. Here we describe its three-dimensional backbone structure determined in decyl-phosphocholine (DePC) micelles by NMR spectroscopy. The NMR structure was calculated using the membrane function of the implicit solvation potential, eefxPot, which we have developed to facilitate NMR structure calculations in a physically realistic environment. We show that the eefxPot force field guides the protein towards its native fold. The resulting structures provide information about the membrane-embedded global position of Ail, and have higher accuracy, higher precision and improved conformational properties, compared to the structures calculated with the standard repulsive potential.