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BMRB: 16490

2KO6

Solution structure of protein sf3929 from Shigella flexneri 2a. Northeast Structural Genomics Consortium target SfR81/Ontario Center for Structural Proteomics Target sf3929

Authors

Wu, B., Yee, A., Fares, C., Lemak, A., Semest, A., Arrowsmith, C.H.

Assembly

sf3929

Entity

1. sf3929 (polymer, Thiol state: all free), 89 monomers, 10306.80 Da Detail

MKCKRLNEVI ELLQPAWQKE PDFNLLQFLQ KLAKESGFDG ELADLTDDIL IYHLKMRDSA KDAVIPGLQK DYEEDFKTAL LRARGVIKE

Formula weight

10306.8 Da

Source organism

Shigella flexneri 2a

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 89.9 %, Completeness (bb): 95.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.9 % (984 of 1094)	90.1 % (519 of 576)	88.4 % (375 of 424)	95.7 % (90 of 94)
Backbone	95.8 % (506 of 528)	96.6 % (173 of 179)	95.4 % (251 of 263)	95.3 % (82 of 86)
Sidechain	86.2 % (561 of 651)	87.2 % (346 of 397)	84.1 % (207 of 246)	100.0 % (8 of 8)
Aromatic	22.2 % (16 of 72)	22.2 % (8 of 36)	20.0 % (7 of 35)	100.0 % (1 of 1)
Methyl	96.2 % (102 of 106)	96.2 % (51 of 53)	96.2 % (51 of 53)

1. sf3929

MKCKRLNEVI ELLQPAWQKE PDFNLLQFLQ KLAKESGFDG ELADLTDDIL IYHLKMRDSA KDAVIPGLQK DYEEDFKTAL LRARGVIKE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
1	sf3929	[U-100% 13C; U-100% 15N]	0.5 mM
2	TRIS	[U-100% 2H]	10 mM
3	sodium chloride	natural abundance	300 mM
4	zinc sulphate	natural abundance	10 uM
5	DTT	[U-100% 2H]	10 mM
6	benzamidine	natural abundance	10 mM
7	inhibitor cocktail	natural abundance	1 na
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

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
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: -0.17 ppm, Outliers: 2 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
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: -0.17 ppm, Outliers: 2 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
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: 0.02 ppm, Outliers: 1 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
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: -0.19 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KO6, Strand ID: A Detail

Release date

2009-10-05

Citation

Solution Structure of protein sf3929 from Shigella flexneri 2a. Northeast Structural Genomics Consortium target SfR81/Ontario Center for Structural Proteomics Target sf3929
Wu, B., Yee, A., Fares, C., Lemak, A., Semest, A., Arrowsmith, C.H.
Not known

Related entities 1. sf3929, : 1 : 2 : 3 entities Detail

Experiments performed 11 experiments Detail

1 3D HNCO