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BMRB: 5947

1RXL

Complete resonance assignments of a 'donor strand complemented' AfaE-III: the afimbrial adhesin from Diffusely Adherent E. coli

Authors

Anderson, K.L., Cota, E., Simpson, P.J., Chen, H., Le Bouguenec, C., Matthews, S.

Assembly

donor strand complemented AfaE-III

Entity

1. donor strand complemented AfaE-III (polymer, Thiol state: not reported), 156 monomers, 16932.53 Da Detail

HHHHHHGLVP RGSEECQVRV GDLTVAKTRG QLTDAAPIGP VTVQALGCNA RQVALKADTD NFEQGKFFLI SDNNRDKLYV NIRPMDNSAW TTDNGVFYKN DVGSWGGTIG IYVDGQQTNT PPGNYTLTLT GGYWAKDNKQ GFTPSGTTGT TKLTVT

Formula weight

16932.53 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

ARIA-implemented distance geometry/simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.9 %, Completeness: 84.7 %, Completeness (bb): 91.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.7 % (1469 of 1734)	82.6 % (735 of 890)	87.5 % (589 of 673)	84.8 % (145 of 171)
Backbone	91.0 % (839 of 922)	91.0 % (295 of 324)	90.9 % (408 of 449)	91.3 % (136 of 149)
Sidechain	79.7 % (756 of 949)	77.7 % (440 of 566)	85.0 % (307 of 361)	40.9 % (9 of 22)
Aromatic	74.7 % (112 of 150)	74.7 % (56 of 75)	73.6 % (53 of 72)	100.0 % (3 of 3)
Methyl	83.7 % (139 of 166)	83.1 % (69 of 83)	84.3 % (70 of 83)

1. donor strand complemented AfaE-III

HHHHHHGLVP RGSEECQVRV GDLTVAKTRG QLTDAAPIGP VTVQALGCNA RQVALKADTD NFEQGKFFLI SDNNRDKLYV NIRPMDNSAW TTDNGVFYKN DVGSWGGTIG IYVDGQQTNT PPGNYTLTLT GGYWAKDNKQ GFTPSGTTGT TKLTVT

Show sample condition

Sample

Temperature 303 (±1) K, pH 5 (±0.2)

#	Name	Isotope labeling	Concentration
1	donor strand complemented AfaE-III	[U-95% 13C; U-95% 15N]	0.8 mM
2	acetate buffer		50 mM
3	sodium chloride		100 mM

LACS Plot; CA

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

Referencing offset: -0.92 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.92 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.13 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.78 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 1RXL, Strand ID: A Detail

Release date

2004-07-05

Citation 1

Complete resonance assignments of a 'donor-strand complemented' AfaE: the afimbrial adhesin from Diffusely Adherent E. coli
Anderson, K.L., Cota, E., Simpson, P.J., Chen, H., du Merle, L., Le Bouguenec, C., Matthews, S.
J. Biomol. NMR (2004), 29, 409-410, PubMed 15213443 , DOI 10.1023/B:JNMR.0000032498.94441.08 , Abstract

Show more 1 citaion

Citation 2

ARIA: automated NOE assignment and NMR structure calculation
Linge, J.P., Habeck, M., Rieping, W., Nilges, M.
Bioinformatics (2003), 19, 315-316, PubMed 12538267 , DOI 10.1093/bioinformatics/19.2.315 , Abstract

Hide non-primary 1 citaion

Related entities 1. donor strand complemented AfaE-III, : 1 : 2 : 3 entities Detail

Interaction partners 1. donor strand complemented AfaE-III, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 HNCACB