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BMRB: 16712

2L6D

1H, 13C and 15N backbone and side-chain chemical shift assignments for oxidized desulthioredoxin

Authors

Garcin, E.B., Bornet, O., Sebban-Kreuzer, C., Guerlesquin, F.

Assembly

desulfothioredoxin

Entity

1. desulfothioredoxin (polymer, Thiol state: free and disulfide bound), 110 monomers, 12362.15 Da Detail

MSAIRDITTE AGMAHFEGLS DAIVFFHKNL CPHCKNMEKV LDKFGARAPQ VAISSVDSEA RPELMKELGF ERVPTLVFIR DGKVAKVFSG IMNPRELQAL YASIHHHHHH

Formula weight

12362.15 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS31:SG	1:CYS34:SG

Source organism

Desulfovibrio vulgaris

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.2 %, Completeness: 92.6 %, Completeness (bb): 95.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.6 % (1188 of 1283)	93.4 % (621 of 665)	90.4 % (459 of 508)	98.2 % (108 of 110)
Backbone	95.4 % (620 of 650)	95.5 % (211 of 221)	94.4 % (306 of 324)	98.1 % (103 of 105)
Sidechain	90.6 % (668 of 737)	92.3 % (410 of 444)	87.8 % (253 of 288)	100.0 % (5 of 5)
Aromatic	66.7 % (76 of 114)	77.2 % (44 of 57)	56.1 % (32 of 57)
Methyl	100.0 % (120 of 120)	100.0 % (60 of 60)	100.0 % (60 of 60)

1. Desulfothioredoxin

MSAIRDITTE AGMAHFEGLS DAIVFFHKNL CPHCKNMEKV LDKFGARAPQ VAISSVDSEA RPELMKELGF ERVPTLVFIR DGKVAKVFSG IMNPRELQAL YASIHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	oxidized desulfothioredoxin	[U-99% 13C; U-99% 15N]	1 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Potassium phosphate	natural abundance	0.05 M
5	NaCl	natural abundance	0.1 M

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.689 ppm	internal	indirect	0.2514495
¹H	water	protons	4.689 ppm	internal	direct	1.0
¹⁵N	water	protons	4.689 ppm	internal	indirect	0.1013291

Referencing offset: 2.89 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.689 ppm	internal	indirect	0.2514495
¹H	water	protons	4.689 ppm	internal	direct	1.0
¹⁵N	water	protons	4.689 ppm	internal	indirect	0.1013291

Referencing offset: 2.89 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.689 ppm	internal	indirect	0.2514495
¹H	water	protons	4.689 ppm	internal	direct	1.0
¹⁵N	water	protons	4.689 ppm	internal	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.689 ppm	internal	indirect	0.2514495
¹H	water	protons	4.689 ppm	internal	direct	1.0
¹⁵N	water	protons	4.689 ppm	internal	indirect	0.1013291

Referencing offset: 3.1 ppm, Outliers: 2 Detail

Release date

2010-04-25

Citation

1H, 13C and 15N backbone and side-chain chemical shift assignments for oxidized and reduced desulfothioredoxin
Garcin, E.B., Bornet, O., Pieulle, L., Guerlesquin, F., Sebban-Kreuzer, C.
Biomol. NMR Assign. (2010), 4, 135-137, PubMed 20390383 , DOI 10.1007/s12104-010-9226-9 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 16713 released on 2010-04-25
Title 1H, 13C and 15N backbone and side-chain chemical shift assignments for reduced desulthioredoxin

Related entities 1. desulfothioredoxin, : 1 : 1 : 40 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC