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BMRB: 7359

2IJY

1H, 15N and 13C chemical shift assignments for reduced and oxidised forms of the DsbA oxidoreductase from Vibrio cholerae

Authors

Horne, H.J., Scanlon, M.J.

Assembly

DsbA oxidoreductase

Entity

1. DsbA oxidoreductase (polymer, Thiol state: all disulfide bound), 181 monomers, 20472.15 Da Detail

AQFKEGEHYQ VLKTPASSSP VVSEFFSFYC PHCNTFEPII AQLKQQLPEG AKFQKNHVSF MGGNMGQAMS KAYATMIALE VEDKMVPVMF NRIHTLRKPP KDEQELRQIF LDEGIDAAKF DAAYNGFAVD SMVRRFDKQF QDSGLTGVPA VVVNNRYLVQ GQSAKSLDEY FDLVNYLLTL K

Formula weight

20472.15 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS30:SG	1:CYS33:SG

Source organism

Vibrio cholerae

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 80.4 %, Completeness (bb): 84.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.4 % (1738 of 2161)	87.7 % (987 of 1126)	67.2 % (566 of 842)	95.9 % (185 of 193)
Backbone	84.6 % (903 of 1068)	97.5 % (354 of 363)	71.1 % (379 of 533)	98.8 % (170 of 172)
Sidechain	79.4 % (1004 of 1264)	83.0 % (633 of 763)	74.2 % (356 of 480)	71.4 % (15 of 21)
Aromatic	16.0 % (34 of 212)	29.2 % (31 of 106)	2.8 % (3 of 106)
Methyl	99.5 % (181 of 182)	98.9 % (90 of 91)	100.0 % (91 of 91)

1. DsbA protein disulfide isomerase

Show sample condition

Sample

Temperature 320 (±0.2) K, pH 6.8, Details 10mM HEPES 50mM NaCl pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	DsbA - Bacterial oxidoreductase	[U-95% 13C; U-90% 15N]	protein	0.3 mM
2	HEPES			10 mM
3	NaCl			50 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: 2.56 ppm, Outliers: 4 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: 2.56 ppm, Outliers: 4 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: -0.2 ppm, Outliers: 1 Detail

Release date

2007-06-25

Citation

Backbone and side chain 1H, 15N and 13C assignments for the reduced form of the oxidoreductase protein DsbA from Vibrio cholerae
Horne, J., Scanlon, M.J.
Biomol. NMR Assign. (2007), 1, 75-76, PubMed 19636831 , DOI 10.1007/s12104-007-9018-z , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 7360 released on 2007-06-25
Title 1H, 15N and 13C chemical shift assignments for reduced and oxidised forms of the DsbA oxidoreductase from Vibrio cholerae

Related entities 1. DsbA oxidoreductase, : 1 : 1 : 2 : 118 entities Detail

Experiments performed 11 experiments Detail

1 13C_1H-HSQC