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BMRB: 11017

2RN7

NMR solution structure of TnpE protein from Shigella flexneri. Northeast Structural Genomics Target SfR125.

Authors

Ramelot, T.A., Cort, J.R., Semesi, A., Garcia, M., Yee, A.A., Arrowsmith, C.H., Kennedy, M.A.

Assembly

TnpE protein

Entity

1. TnpE protein (polymer, Thiol state: all free), 108 monomers, 12640.11 Da Detail

MTKNTRFSPE VRQRAVRMVL ESQGEYDSQW ATICSIAPKI GCTPETLRVW VRQHERDTGG DDGGLTTAER QRLKEPEREN RELRRSNDIL RLASAYFAKA EFDRLWKK

Formula weight

12640.11 Da

Source organism

Shigella flexneri

Exptl. method

solution NMR

Refine. method

DGSA-distance geometry simulated annealing, water refinement

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 86.1 %, Completeness: 76.1 %, Completeness (bb): 80.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.1 % (975 of 1282)	73.0 % (496 of 679)	78.7 % (384 of 488)	82.6 % (95 of 115)
Backbone	80.5 % (515 of 640)	79.4 % (173 of 218)	80.8 % (257 of 318)	81.7 % (85 of 104)
Sidechain	73.4 % (546 of 744)	70.1 % (323 of 461)	78.3 % (213 of 272)	90.9 % (10 of 11)
Aromatic	48.8 % (42 of 86)	48.8 % (21 of 43)	47.5 % (19 of 40)	66.7 % (2 of 3)
Methyl	85.0 % (85 of 100)	82.0 % (41 of 50)	88.0 % (44 of 50)

1. TnpE

MTKNTRFSPE VRQRAVRMVL ESQGEYDSQW ATICSIAPKI GCTPETLRVW VRQHERDTGG DDGGLTTAER QRLKEPEREN RELRRSNDIL RLASAYFAKA EFDRLWKK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.7 (±0.1), Details slowly degrading

#	Name	Isotope labeling	Concentration
1	TnpE	[U-100% 13C; U-100% 15N]	1 (±0.1) mM
2	TRIS	natural abundance	10 (±1.0) mM
3	sodium chloride	natural abundance	500 (±50.0) mM
4	DTT	natural abundance	10 (±1.0) mM
5	Zn+2	natural abundance	10 (±1.0) uM
6	sodium azide	natural abundance	0.01 (±0.01) %
7	benzamidine	natural abundance	1 (±0.1) mM
8	H2O		90 %
9	D2O		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 7.7 (±0.1), Details slowly degrading

#	Name	Isotope labeling	Concentration
10	TnpE	[U-7% 13C; U-100% 15N]	1 (±0.1) mM
11	TRIS	natural abundance	10 (±1.0) mM
12	sodium chloride	natural abundance	500 (±50.0) mM
13	DTT	natural abundance	10 (±1.0) mM
14	Zn+2	natural abundance	10 (±1.0) uM
15	sodium azide	natural abundance	0.01 (±0.01) %
16	benzamidine	natural abundance	1 (±0.1) mM
17	H2O		90 %
18	D2O		10 %

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: -0.08 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: -0.08 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: 0.03 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: -0.04 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2RN7, Strand ID: A Detail

Release date

2008-03-23

Citation

NMR solution structure of TnpE protein from Shigella flexneri. Northeast Structural Genomics Target SfR125
Ramelot, T.A., Cort, J.R., Semesi, A., Garcia, M., Yee, A., Arrowsmith, C.H., Kennedy, M.A.

Related entities 1. TnpE protein, : 1 : 1 : 9 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC