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BMRB: 18130

2LRC

1H, 13C and 15N chemical shift assignments of thioredoxin 2 from Pseudomonas aeruginosa PAO1 in its reduced form

Authors

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

Assembly

monomeric Pstrx2

Entity

1. monomeric Pstrx2 (polymer, Thiol state: all free), 114 monomers, 12756.16 Da Detail

MKTRYSAEAP ARDELDRLAG PTLVEFGTDW CGHCQAAQPL LAEVFSDYPE VGHLKVEDGP GRRLGRSFQV KLWPTFVFLR DGREVARVVR PGSASVLEEA FESLVGEGHH HHHH

Formula weight

12756.16 Da

Source organism

Pseudomonas aeruginosa

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.7 %, Completeness: 88.1 %, Completeness (bb): 92.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.1 % (1142 of 1296)	87.8 % (589 of 671)	87.5 % (449 of 513)	92.9 % (104 of 112)
Backbone	92.5 % (620 of 670)	91.8 % (213 of 232)	92.7 % (307 of 331)	93.5 % (100 of 107)
Sidechain	84.6 % (617 of 729)	85.6 % (376 of 439)	83.2 % (237 of 285)	80.0 % (4 of 5)
Aromatic	66.7 % (88 of 132)	78.8 % (52 of 66)	53.1 % (34 of 64)	100.0 % (2 of 2)
Methyl	100.0 % (116 of 116)	100.0 % (58 of 58)	100.0 % (58 of 58)

1. Pstrx2

MKTRYSAEAP ARDELDRLAG PTLVEFGTDW CGHCQAAQPL LAEVFSDYPE VGHLKVEDGP GRRLGRSFQV KLWPTFVFLR DGREVARVVR PGSASVLEEA FESLVGEGHH HHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Pstrx2	[U-99% 13C; U-99% 15N]	0.8 mM
2	NaCl	natural abundance	150 mM
3	KPO4	natural abundance	10 mM

LACS Plot; CA

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

Referencing offset: 0.15 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.15 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.8 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2013-04-14

Citation

¹H, ¹³C and ¹⁵N backbone and side-chain chemical shift assignments for reduced unusual thioredoxin Patrx2 of Pseudomonas aeruginosa
Garcin, E.B., Bornet, O., Elantak, L., Nouailler, M., Guerlesquin, F., Sebban-Kreuzer, C.
Biomol. NMR Assign. (2014), 8, 247-250, PubMed 23771858 , DOI 10.1007/s12104-013-9493-3 , Abstract

Related entities 1. monomeric Pstrx2, : 1 : 15 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC