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BMRB: 15611

2JZA

Solution NMR structure of Nitrite reductase [NAD(P)H] small subunit from Erwinia carotovora, Northeast Structural Genomics Consortium target EwR120.

Authors

Sathyamoorthy, B., Eletsky, A., Wang, D., Stokes, K., Owens, L., Xiao, R., Liu, J., Baran, M.C., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., SZYPERSKI, T.

Assembly

ewr120 protein

Entity

1. ewr120 protein (polymer, Thiol state: all free), 130 monomers, 14464.90 Da Detail

MSQWTTVCKL DDILPGTGVC ALVEQQQIAV FRPRNDEQVY AISNIDPFAQ ASVLSRGIVA EHQDDLWVAS PLKKQHFRLY DGFCLEDGAY SVAAYDTQVT NGNVQISIAD SDVAVDNSQP LPLEHHHHHH

Formula weight

14464.9 Da

Source organism

Pectobacterium carotovorum

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 94.6 %, Completeness: 90.5 %, Completeness (bb): 91.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.5 % (1330 of 1470)	92.0 % (693 of 753)	87.7 % (504 of 575)	93.7 % (133 of 142)
Backbone	91.9 % (706 of 768)	91.9 % (239 of 260)	91.7 % (352 of 384)	92.7 % (115 of 124)
Sidechain	89.6 % (740 of 826)	92.1 % (454 of 493)	85.1 % (268 of 315)	100.0 % (18 of 18)
Aromatic	58.6 % (75 of 128)	71.9 % (46 of 64)	43.5 % (27 of 62)	100.0 % (2 of 2)
Methyl	98.7 % (152 of 154)	100.0 % (77 of 77)	97.4 % (75 of 77)

1. ewr120 protein

MSQWTTVCKL DDILPGTGVC ALVEQQQIAV FRPRNDEQVY AISNIDPFAQ ASVLSRGIVA EHQDDLWVAS PLKKQHFRLY DGFCLEDGAY SVAAYDTQVT NGNVQISIAD SDVAVDNSQP LPLEHHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	ewr120 protein	[U-5% 13C; U-100% 15N]	0.24 mM
2	calcium chloride	natural abundance	5 mM
3	ammonium acetate	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	DTT	natural abundance	10 mM
6	sodium azide	natural abundance	0.02 %
7	D2O	[U-100% 2H]	5 %
8	H2O		95 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
9	ewr120 protein	[U-100% 13C; U-100% 15N]	0.7 mM
10	calcium chloride	natural abundance	5 mM
11	ammonium acetate	natural abundance	20 mM
12	sodium chloride	natural abundance	100 mM
13	DTT	natural abundance	10 mM
14	sodium azide	natural abundance	0.02 %
15	D2O	[U-100% 2H]	5 %
16	H2O		95 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5

#	Name	Isotope labeling	Concentration
17	ewr120 protein	[U-100% 13C; U-100% 15N]	0.32 mM
18	calcium chloride	natural abundance	5 mM
19	ammonium acetate	natural abundance	20 mM
20	sodium chloride	natural abundance	100 mM
21	DTT	natural abundance	10 mM
22	sodium azide	natural abundance	0.02 %
23	D2O	[U-100% 2H]	5 %
24	H2O		95 %

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: 0.15 ppm, Outliers: 2 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: 0.15 ppm, Outliers: 2 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: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

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: 0.68 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2008-03-06

Citation

Solution NMR structure of Nitrite reductase [NAD(P)H] small subunit from Erwinia carotovora
Eletsky, A., Sathyamoorthy, B., SZYPERSKI, T.
J. Biomol. NMR

Related entities 1. ewr120 protein, : 1 : 7 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC