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BMRB: 16997

2KZ4

Solution structure of protein SF1141 from Shigella flexneri 2a. Northeast Structural Genomics Consortium (NESG) TARGET SFT2.

Authors

Lemak, A., Yee, A., Garcia, M., Lee, H., Prestegard, J., Montelione, G., Arrowsmith, C.

Assembly

SF1141

Entity

1. SF1141 (polymer, Thiol state: all free), 112 monomers, 12483.25 Da Detail

MNIGRLRDRI TIQTLKQTRD ITGEILETWE DGHTLWASVN MVSSKEAISS GAELAIGTVR IWIRYRKDIN ATSRIKVSTG PLAGRVLNII GQPLPDAART RLEILCREGA EK

Formula weight

12483.25 Da

Source organism

Shigella flexneri 2a

Exptl. method

solution NMR

Refine. method

restrained molecular dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.8 %, Completeness (bb): 96.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.8 % (1237 of 1291)	95.2 % (640 of 672)	96.4 % (482 of 500)	96.6 % (115 of 119)
Backbone	96.5 % (643 of 666)	96.5 % (222 of 230)	96.6 % (316 of 327)	96.3 % (105 of 109)
Sidechain	95.6 % (696 of 728)	94.6 % (418 of 442)	97.1 % (268 of 276)	100.0 % (10 of 10)
Aromatic	91.7 % (44 of 48)	91.7 % (22 of 24)	90.5 % (19 of 21)	100.0 % (3 of 3)
Methyl	98.1 % (151 of 154)	97.4 % (75 of 77)	98.7 % (76 of 77)

1. sf1141

MNIGRLRDRI TIQTLKQTRD ITGEILETWE DGHTLWASVN MVSSKEAISS GAELAIGTVR IWIRYRKDIN ATSRIKVSTG PLAGRVLNII GQPLPDAART RLEILCREGA EK

Show sample condition

Sample

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

#	Name	Isotope labeling	Concentration
1	sf1141	[U-13C; U-15N]	0.5 mM
2	TRIS	natural abundance	10 mM
3	sodium chloride	natural abundance	500 mM
4	ZnSO4	natural abundance	10 uM
5	DTT	natural abundance	10 mM
6	NaN3	natural abundance	0.01 %
7	benzamidine	natural abundance	10 mM
8	D2O	natural abundance	10 %
9	H2O	natural abundance	90 %

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	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.12 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.12 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 3 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.4 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KZ4, Strand ID: A Detail

Release date

2010-07-06

Citation

Solution structure of protein SF1141 from Shigella flexneri 2a
Lemak, A., Yee, A., Garcia, M., Lee, H., Prestegard, J., Montelione, G., Arrowsmith, C.
Not known

Related entities 1. SF1141, : 1 entities Detail

Experiments performed 10 experiments Detail

1 3D HNCO