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BMRB: 18419

4AQZ

B2 domain of Neisseria meningitidis Pilus assembly protein PilQ

Authors

Phelan, M.M., Berry, J.L., Derrick, J.P., Lian, L.Y.

Assembly

B2 domain of Neisseria meningitidis Pilus assembly protein PilQ

Entity

1. B2 domain of Neisseria meningitidis Pilus assembly protein PilQ (polymer, Thiol state: not present), 138 monomers, 15165.06 Da Detail

MGSSHHHHHH GLVPRGSHMA SMTGGQQMGR GSKQTNIDFR KDGKNAGIIE LAALGFAGQP DISQQHDHII VTLKNHTLPT TLQRSLDVAD FKTPVQKVTL KRLNNDTQLI ITTAGNWELV NKSAAPGYFT FQVLPKKQ

Formula weight

15165.06 Da

Source organism

Neisseria meningitidis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.8 %, Completeness: 85.6 %, Completeness (bb): 90.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.6 % (1365 of 1594)	84.4 % (700 of 829)	87.0 % (534 of 614)	86.8 % (131 of 151)
Backbone	90.8 % (741 of 816)	90.1 % (255 of 283)	90.8 % (364 of 401)	92.4 % (122 of 132)
Sidechain	81.7 % (738 of 903)	81.5 % (445 of 546)	84.0 % (284 of 338)	47.4 % (9 of 19)
Aromatic	60.0 % (66 of 110)	61.8 % (34 of 55)	57.4 % (31 of 54)	100.0 % (1 of 1)
Methyl	94.7 % (142 of 150)	94.7 % (71 of 75)	94.7 % (71 of 75)

1. NmPilQ B2

MGSSHHHHHH GLVPRGSHMA SMTGGQQMGR GSKQTNIDFR KDGKNAGIIE LAALGFAGQP DISQQHDHII VTLKNHTLPT TLQRSLDVAD FKTPVQKVTL KRLNNDTQLI ITTAGNWELV NKSAAPGYFT FQVLPKKQ

Show sample condition

Sample

Solvent system 90% water/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.800, Details B2 500uM

#	Name	Isotope labeling	Concentration
1	NmPilQ_B2	[U-13C; U-15N]	0.5 mM
2	potassium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM
4	sodium azide	natural abundance	0.2 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	indirect	1.0
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	indirect	1.0
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.07 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	indirect	1.0
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	internal	indirect	1.0
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.73 ppm, Outliers: 1 Detail

Release date

2013-01-02

Citation

Structure and assembly of a trans-periplasmic channel for type IV pili in Neisseria meningitidis
Berry, J., Phelan, M.M., Collins, R.F., Adomavicius, T., Tnjum, T., Frye, S.A., Bird, L., Owens, R., Ford, R.C., Lian, L., Derrick, J.P.
PLoS Pathog. (2012), 8, e1002923-e1002923, PubMed 23028322 , DOI 10.1371/journal.ppat.1002923 , Abstract

Related entities 1. B2 domain of Neisseria meningitidis Pilus assembly protein PilQ, : 1 : 10 entities Detail

Experiments performed 15 experiments Detail

1 3D CBCA(CO)NH