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BMRB: 25001

2MPV

Structural insight into host recognition and biofilm formation by aggregative adherence fimbriae of enteroaggregative Esherichia coli

Authors

Matthews, S.J., Yang, Y., Berry, A.A., Pakharukova, N., Garnett, J.A., Lee, W., Cota, E., Liu, B., Roy, S., Tuittila, M., Marchant, J., Inman, K.G., Ruiz-Perez, F., Mandomando, I., Nataro, J.P., Zavialov, A.V.

Assembly

aggregative adherence fimbriae

Entity

1. aggregative adherence fimbriae (polymer), 145 monomers, 15543.49 Da Detail

NFCDITITPA TNRDVNVDRS ANIDLSFTIR QPQRCADAGM RIKAWGEANH GQLLIKPQGG NKSAGFTLAS PRFSYIPNNP ANIMNGFVLT NPGVYQLGMQ GSITPAIPLR PGLYEVVLNA ELVTNDNKQN ATAVAKTATS TITVV

Formula weight

15543.49 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

distance geometry, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.7 %, Completeness (bb): 96.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.7 % (1475 of 1627)	88.8 % (746 of 840)	94.3 % (593 of 629)	86.1 % (136 of 158)
Backbone	96.7 % (822 of 850)	97.6 % (284 of 291)	95.5 % (405 of 424)	98.5 % (133 of 135)
Sidechain	86.2 % (785 of 911)	84.2 % (462 of 549)	94.4 % (320 of 339)	13.0 % (3 of 23)
Aromatic	87.8 % (79 of 90)	88.9 % (40 of 45)	86.4 % (38 of 44)	100.0 % (1 of 1)
Methyl	96.1 % (173 of 180)	95.6 % (86 of 90)	96.7 % (87 of 90)

1. entity

NFCDITITPA TNRDVNVDRS ANIDLSFTIR QPQRCADAGM RIKAWGEANH GQLLIKPQGG NKSAGFTLAS PRFSYIPNNP ANIMNGFVLT NPGVYQLGMQ GSITPAIPLR PGLYEVVLNA ELVTNDNKQN ATAVAKTATS TITVV

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	sodium acetate	natural abundance	50 mM
2	entity	[U-100% 13C; U-100% 15N]	200 uM
3	sodium chloride	natural abundance	50 mM
4	H2O	natural abundance	90 %
5	D2O	[U-100% 2H]	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291
¹H	water	protons	4.8 ppm	internal	direct	1.0

Referencing offset: -0.09 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291
¹H	water	protons	4.8 ppm	internal	direct	1.0

Referencing offset: -0.09 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291
¹H	water	protons	4.8 ppm	internal	direct	1.0

Referencing offset: -0.11 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291
¹H	water	protons	4.8 ppm	internal	direct	1.0

Referencing offset: 0.59 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 1 models in PDB: 2MPV, Strand ID: A Detail

Release date

2014-10-26

Citation

Structural insight into host recognition by aggregative adherence fimbriae of enteroaggregative Escherichia coli
Berry, A.A., Yang, Y., Pakharukova, N., Garnett, J.A., Lee, W., Cota, E., Liu, B., Marchant, J., Roy, S., Tuittila, M., Inman, K.G., Ruiz-Perez, F., Mandomando, I., Nataro, J.P., Zavialov, A.V., Matthews, S.J.
PLoS Pathog. (2014), 10, e1004404-e1004404, PubMed 25232738 , DOI 10.1371/journal.ppat.1004404 , Abstract

Related entities 1. aggregative adherence fimbriae, : 1 : 3 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC