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BMRB: 25102

2MS3

The NMR structure of the rubredoxin domain of the NO Reductase Flavorubredoxin from Escherichia coli

Authors

Turner, D.L., Silva, E., Lamosa, P.M., Teixeira, M.

Assembly

rubredoxin domain of the NO Reductase Flavorubredoxin

Entity

1. rubredoxin domain of the NO Reductase Flavorubredoxin (polymer, Thiol state: all other bound), 57 monomers, 6288.031 Da Detail

GPRMQCSVCQ WIYDPAKGEP MQDVAPGTPW SEVPDNFLCP ECSLGKDVFE ELASEAK

2. rubredoxin domain of the NO Reductase Flavorubredoxin, entity ZN (non-polymer), 65.409 Da

Total weight

6353.44 Da

Max. entity weight

6288.031 Da

Entity Connection

metal coordination 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS6:SG	2:ZN1:ZN
2	metal coordination	sing	1:CYS9:SG	2:ZN1:ZN
3	metal coordination	sing	1:CYS39:SG	2:ZN1:ZN
4	metal coordination	sing	1:CYS42:SG	2:ZN1:ZN

Source organism

Escherichia coli

Exptl. method

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.7 %, Completeness (bb): 98.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	94.7 % (373 of 394)	94.4 % (319 of 338)	96.4 % (54 of 56)
Backbone	98.1 % (158 of 161)	99.1 % (110 of 111)	96.0 % (48 of 50)
Sidechain	92.3 % (215 of 233)	92.1 % (209 of 227)	100.0 % (6 of 6)
Aromatic	100.0 % (28 of 28)	100.0 % (26 of 26)	100.0 % (2 of 2)
Methyl	100.0 % (21 of 21)	100.0 % (21 of 21)

1. rubredoxin domain of the NO Reductase Flavorubredoxin

GPRMQCSVCQ WIYDPAKGEP MQDVAPGTPW SEVPDNFLCP ECSLGKDVFE ELASEAK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7

#	Name	Isotope labeling	Type	Concentration
1	rubredoxin domain of the NO Reductase Flavorubredoxin	[U-99% 15N]		1.1 mM
2	sodium chloride	natural abundance		100 mM
3	potassium phosphate	natural abundance		10 mM
4	sodium azide	natural abundance		0.04 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2MS3, Strand ID: A Detail

Release date

2015-07-19

Citation

Structure of Escherichia coli Flavodiiron Nitric Oxide Reductase
Turner, D.L., Silva, E., Lamosa, P.M., Teixeira, M.
J. Mol. Biol. (2016), 428, 4686-4707, PubMed 27725182 , DOI 10.1016/j.jmb.2016.10.008 , Abstract

Related entities 1. rubredoxin domain of the NO Reductase Flavorubredoxin, : 1 : 15 : 6 : 169 entities Detail

Interaction partners 1. rubredoxin domain of the NO Reductase Flavorubredoxin, : 7 interactors Detail

More details for 7 interactors identified by 2 citations

Experiments performed 5 experiments Detail

1 2D 1H-1H COSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7

#	Name	Isotope labeling	Type	Concentration
1	rubredoxin domain of the NO Reductase Flavorubredoxin	[U-99% 15N]		1.1 mM
2	sodium chloride	natural abundance		100 mM
3	potassium phosphate	natural abundance		10 mM
4	sodium azide	natural abundance		0.04 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

2 2D 1H-1H TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7

#	Name	Isotope labeling	Type	Concentration
1	rubredoxin domain of the NO Reductase Flavorubredoxin	[U-99% 15N]		1.1 mM
2	sodium chloride	natural abundance		100 mM
3	potassium phosphate	natural abundance		10 mM
4	sodium azide	natural abundance		0.04 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

3 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7

#	Name	Isotope labeling	Type	Concentration
1	rubredoxin domain of the NO Reductase Flavorubredoxin	[U-99% 15N]		1.1 mM
2	sodium chloride	natural abundance		100 mM
3	potassium phosphate	natural abundance		10 mM
4	sodium azide	natural abundance		0.04 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

4 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7

#	Name	Isotope labeling	Type	Concentration
1	rubredoxin domain of the NO Reductase Flavorubredoxin	[U-99% 15N]		1.1 mM
2	sodium chloride	natural abundance		100 mM
3	potassium phosphate	natural abundance		10 mM
4	sodium azide	natural abundance		0.04 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

5 3D 1H-15N TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.7

#	Name	Isotope labeling	Type	Concentration
1	rubredoxin domain of the NO Reductase Flavorubredoxin	[U-99% 15N]		1.1 mM
2	sodium chloride	natural abundance		100 mM
3	potassium phosphate	natural abundance		10 mM
4	sodium azide	natural abundance		0.04 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

nullKeywords NorV, electron transport, flavorubredoxin, nitric oxide, nitric oxide reductase, rubredoxin