BMRB: 15735

truncated AcrA from Campylobacter jejuni for glycosylation studies

Authors

Slynko, V., Schubert, M., Numao, S., Kowarik, M., Aebi, M., Allain, F.

Assembly

AcrA

Entity

1. AcrA (polymer, Thiol state: not present), 116 monomers, 12729.09 Da Detail

DVIIKPQVSG VIVNKLFKAG DKVKKGQTLF IIEQDQASKD FNRSKALFSQ SAISQKEYDS SLATLDHTEI KAPFDGTIGD ALVNIGDYVS ASTTELVRVT NLNPIYADGS HHHHHH

Formula weight

12729.09 Da

Source organism

Campylobacter jejuni

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.7 %, Completeness: 79.9 %, Completeness (bb): 79.4 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	79.9 % (1061 of 1328)	87.7 % (599 of 683)	66.4 % (346 of 521)	93.5 % (116 of 124)
Backbone	79.4 % (548 of 690)	92.4 % (218 of 236)	66.0 % (225 of 341)	92.9 % (105 of 113)
Sidechain	81.9 % (612 of 747)	85.2 % (381 of 447)	76.1 % (220 of 289)	100.0 % (11 of 11)
Aromatic	36.3 % (37 of 102)	64.7 % (33 of 51)	7.8 % (4 of 51)
Methyl	95.7 % (134 of 140)	95.7 % (67 of 70)	95.7 % (67 of 70)

1. AcrA(61-210DD)

DVIIKPQVSG VIVNKLFKAG DKVKKGQTLF IIEQDQASKD FNRSKALFSQ SAISQKEYDS SLATLDHTEI KAPFDGTIGD ALVNIGDYVS ASTTELVRVT NLNPIYADGS HHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 15N sample H2O

#	Name	Isotope labeling	Type	Concentration
1	AcrA(61-210DD)	[U-100% 15N]		1 mM
2	potassium phosphate	natural abundance		50 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 13C/15N sample

#	Name	Isotope labeling	Type	Concentration
3	AcrA(61-210DD)	[U-100% 13C; U-100% 15N]		1 mM
4	potassium phosphate	natural abundance		50 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.4, Details 15N sample

#	Name	Isotope labeling	Type	Concentration
5	AcrA(61-210DD)	[U-100% 15N]		1 mM
6	potassium phosphate	natural abundance		50 mM

Hide sample codition

LACS Plot; CA

Referencing offset: -0.35 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

Hide chemical shift referencing parameters

LACS Plot; CB

Referencing offset: -0.35 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

Hide chemical shift referencing parameters

LACS Plot; HA

Referencing offset: 0.05 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

Hide chemical shift referencing parameters

Protein Blocks Logo

Calculated from 20 models in PDB: 2K32, Strand ID: A Detail

---

Release date

2009-01-22

Citation

NMR structure determination of a segmentally labeled glycoprotein using in vitro glycosylation
Slynko, V., Schubert, M., Numao, S., Kowarik, M., Aebi, M., Allain, F.
J. Am. Chem. Soc. (2009), 131, 1274-1281, PubMed 19154179 , DOI 10.1021/ja808682v , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. AcrA, : 1 : 1 : 69 entities Detail

Experiments performed 11 experiments Detail