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BMRB: 16164

2KEP

Solution structure of XcpT, the main component of the type 2 secretion system of Pseudomonas aeruginosa

Authors

Alphonse, S., Durand, E., Douzi, B., Darbon, H., Filloux, A., Voulhoux, R., Bernard, C.

Assembly

XcpT

Entity

1. XcpT (polymer, Thiol state: not present), 110 monomers, 11944.18 Da Detail

MSRPDQAKVT VAKGDIKAIA AALDMYKLDN FAYPSTQQGL EALVKKPTGN PQPKNWNKDG YLKKLPVDPW GNPYQYLAPG TKGPFDLYSL GADGKEGGSD NDADIGNWDN

Formula weight

11944.18 Da

Source organism

Pseudomonas aeruginosa

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.5 %, Completeness (bb): 98.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.5 % (1129 of 1262)	93.5 % (619 of 662)	81.4 % (394 of 484)	100.0 % (116 of 116)
Backbone	98.0 % (627 of 640)	98.6 % (219 of 222)	96.9 % (308 of 318)	100.0 % (100 of 100)
Sidechain	83.3 % (600 of 720)	90.9 % (400 of 440)	69.7 % (184 of 264)	100.0 % (16 of 16)
Aromatic	53.8 % (56 of 104)	98.1 % (51 of 52)	4.1 % (2 of 49)	100.0 % (3 of 3)
Methyl	97.9 % (92 of 94)	100.0 % (47 of 47)	95.7 % (45 of 47)

1. XcpT

MSRPDQAKVT VAKGDIKAIA AALDMYKLDN FAYPSTQQGL EALVKKPTGN PQPKNWNKDG YLKKLPVDPW GNPYQYLAPG TKGPFDLYSL GADGKEGGSD NDADIGNWDN

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 290 K, pH 7

#	Name	Isotope labeling	Concentration
1	XcpT	natural abundance	1.3 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	150 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 290 K, pH 7

#	Name	Isotope labeling	Concentration
4	XcpT	[U-15N]	0.9 mM
5	sodium phosphate	natural abundance	50 mM
6	sodium chloride	natural abundance	150 mM

Sample #3

Solvent system 100% D2O, Pressure 1.0 atm, Temperature 290 K, pH 7

#	Name	Isotope labeling	Concentration
7	XcpT	[U-15N]	0.9 mM
8	sodium phosphate	natural abundance	50 mM
9	sodium chloride	natural abundance	150 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 290 K, pH 7

#	Name	Isotope labeling	Concentration
10	XcpT	[U-13C; U-15N]	0.9 mM
11	sodium phosphate	natural abundance	50 mM
12	sodium chloride	natural abundance	150 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.689 ppm	internal	direct	1.0
¹⁵N	[15N] ammonium nitrate	nitrogen	0.0 ppm	external	indirect	0.1013291

Referencing offset: 2.55 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.689 ppm	internal	direct	1.0
¹⁵N	[15N] ammonium nitrate	nitrogen	0.0 ppm	external	indirect	0.1013291

Referencing offset: 2.55 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.689 ppm	internal	direct	1.0
¹⁵N	[15N] ammonium nitrate	nitrogen	0.0 ppm	external	indirect	0.1013291

Referencing offset: 0.24 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.689 ppm	internal	direct	1.0
¹⁵N	[15N] ammonium nitrate	nitrogen	0.0 ppm	external	indirect	0.1013291

Referencing offset: 2.95 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KEP, Strand ID: A Detail

Release date

2009-10-15

Citation

Structure of the Pseudomonas aeruginosa XcpT pseudopilin, a major component of the type II secretion system
Alphonse, S., Durand, E., Douzi, B., Waegele, B., Darbon, H., Filloux, A., Voulhoux, R., Bernard, C.
J. Struct. Biol. (2010), 169, 75-80, PubMed 19747550 , DOI 10.1016/j.jsb.2009.09.003 , Abstract

Related entities 1. XcpT, : 1 : 1 : 21 entities Detail

Interaction partners 1. XcpT, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 18 experiments Detail

1 2D 1H-1H TOCSY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Concentration
1	XcpT	natural abundance	1.3 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	150 mM

2 2D 1H-1H NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 300 K, pH 7

#	Name	Isotope labeling	Concentration
1	XcpT	natural abundance	1.3 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	150 mM

3 2D 1H-15N HSQC