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Found 1 Document (0.876 seconds)

BMRB: 30537

6MZA

Solution NMR structure of a putative thioredoxin (trxA) in the reduced state from Rickettsia prowazekii, the etiological agent responsible for typhus. Seattle Structural Genomics Center for Infectious Disease target RiprA.00029.a

Authors

Buchko, G.W., Seattle Structural Genomics Center for Infectious Disease (SSGCID), S.

Assembly

Thioredoxin

Entity

1. Thioredoxin (polymer), 134 monomers, 15273.35 Da Detail

GPGSMSCYNE ITTLLEFDSN DINTTQRINM VNNVTDSSFK NEVLESDLPV MVDFWAEWCG PCKMLIPIID EISKELQDKV KVLKMNIDEN PKTPSEYGIR SIPTIMLFKN GEQKDTKIGL QQKNSLLDWI NKSI

Formula weight

15273.35 Da

Source organism

Rickettsia prowazekii str. Madrid E

Exptl. method

solution NMR

Refine. method

torsion angle dynamicssimulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.8 %, Completeness: 79.7 %, Completeness (bb): 89.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.7 % (1280 of 1606)	75.2 % (633 of 842)	83.8 % (517 of 617)	88.4 % (130 of 147)
Backbone	89.2 % (705 of 790)	85.0 % (227 of 267)	92.2 % (365 of 396)	89.0 % (113 of 127)
Sidechain	73.5 % (694 of 944)	70.6 % (406 of 575)	77.7 % (271 of 349)	85.0 % (17 of 20)
Aromatic	44.6 % (41 of 92)	47.8 % (22 of 46)	37.2 % (16 of 43)	100.0 % (3 of 3)
Methyl	83.6 % (122 of 146)	80.8 % (59 of 73)	86.3 % (63 of 73)

1. entity 1

GPGSMSCYNE ITTLLEFDSN DINTTQRINM VNNVTDSSFK NEVLESDLPV MVDFWAEWCG PCKMLIPIID EISKELQDKV KVLKMNIDEN PKTPSEYGIR SIPTIMLFKN GEQKDTKIGL QQKNSLLDWI NKSI

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.8 mM [U-99% 13C; U-99% 15N] R29, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.5 mM [U-10% 13C; U-100% 15N] R29, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
5	sodium chloride	natural abundance	100 (±3.0) mM
6	TRIS	natural abundance	20 (±1.0) mM
7	DTT	natural abundance	1 (±0.2) mM
8	R29	[U-10% 13C; U-100% 15N]	0.5 (±0.1) mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.5 mM [U-99% 15N] R29, 100% D2O

#	Name	Isotope labeling	Concentration
9	sodium chloride	natural abundance	100 (±3.0) mM
10	TRIS	natural abundance	20 (±1.0) mM
11	DTT	natural abundance	1 (±0.2) mM
12	R29	[U-99% 15N]	0.5 (±0.1) mM

Protein Blocks Logo

Calculated from 20 models in PDB: 6MZA, Strand ID: A Detail

Release date

2018-12-02

Citation

Solution NMR structure of reduced Rickettsia prowazekii thioredoxin
Buchko, G.W., Van Voorhis, W.C., Myler, P.J.

Related entities 1. Thioredoxin, : 36 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceII - 750 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.8 mM [U-99% 13C; U-99% 15N] R29, 93% H2O/7% D2O

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

2 3D HNCACB

Instrument

Bruker AvanceII - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

3 3D HNCA

Instrument

Bruker AvanceII - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

4 3D C(CO)NH

Instrument

Bruker AvanceII - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

5 3D HNCO

Instrument

Bruker AvanceII - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

6 3D HNCACO

Instrument

Bruker AvanceII - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

7 3D 1H-13C NOESY aliphatic

Instrument

Bruker AvanceII - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

8 3D 1H-13C NOESY aromatic

Instrument

Bruker AvanceII - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

9 3D 1H-15N NOESY

Instrument

Bruker AvanceII - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

10 DEUTERIUM EXCHANGE

Instrument

Bruker AvanceII - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.5 mM [U-99% 15N] R29, 100% D2O

#	Name	Isotope labeling	Concentration
9	sodium chloride	natural abundance	100 (±3.0) mM
10	TRIS	natural abundance	20 (±1.0) mM
11	DTT	natural abundance	1 (±0.2) mM
12	R29	[U-99% 15N]	0.5 (±0.1) mM

11 2D 1H-13C HSQC

Instrument

Bruker AvanceII - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
1	sodium chloride	natural abundance	100 (±3.0) mM
2	TRIS	natural abundance	20 (±1.0) mM
3	DTT	natural abundance	1 (±0.2) mM
4	R29	[U-99% 13C; U-99% 15N]	0.8 (±0.2) mM

12 2D 1H-13C HSQC

Instrument

Bruker AvanceII - 750 MHz

Sample

#	Name	Isotope labeling	Concentration
5	sodium chloride	natural abundance	100 (±3.0) mM
6	TRIS	natural abundance	20 (±1.0) mM
7	DTT	natural abundance	1 (±0.2) mM
8	R29	[U-10% 13C; U-100% 15N]	0.5 (±0.1) mM

nullKeywords INFECTIOUS DISEASES, OXIDOREDUCTASE, SSGCID, Seattle Structural Genomics Center for Infectious Disease, Structural Genomics, typhus

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Found 1 Document (0.876 seconds)

BMRB: 30537

Sample #1

Sample #2

Sample #3

Related entities 1. Thioredoxin, : 36 entities Detail

Experiments performed 12 experiments Detail

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