BMRB: 7224

Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355 (CASP Target)

Authors

Liu, G., Parish, D., Xu, D., Atreya, H., Sukumaran, D., Ho, C.K., Jiang, M., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M., Swapna, G.V., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.

Assembly

Phage-like element PBSX protein xkdW

Entity

1. Phage-like element PBSX protein xkdW (polymer, Thiol state: not present), 110 monomers, 13016.48 Da Detail

MILYDAIMYK YPNAVSRKDF ELRNDGNGSY IEKWNLRAPL PTQAELETWW EELQKNPPYE PPDQVELLAQ ELSQEKLARK QLEELNKTLG NELSDIKLSL LSLEHHHHHH

Formula weight

13016.48 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 59.1 %, Completeness: 51.8 %, Completeness (bb): 47.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	51.8 % (702 of 1356)	56.5 % (404 of 715)	44.6 % (233 of 522)	54.6 % (65 of 119)
Backbone	47.5 % (307 of 646)	56.0 % (121 of 216)	40.1 % (131 of 327)	53.4 % (55 of 103)
Sidechain	54.7 % (447 of 817)	55.7 % (278 of 499)	52.6 % (159 of 302)	62.5 % (10 of 16)
Aromatic	68.2 % (75 of 110)	80.0 % (44 of 55)	53.8 % (28 of 52)	100.0 % (3 of 3)
Methyl	45.6 % (52 of 114)	45.6 % (26 of 57)	45.6 % (26 of 57)

1. Phage-like element PBSX protein xkdW

MILYDAIMYK YPNAVSRKDF ELRNDGNGSY IEKWNLRAPL PTQAELETWW EELQKNPPYE PPDQVELLAQ ELSQEKLARK QLEELNKTLG NELSDIKLSL LSLEHHHHHH

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Phage-like element PBSX protein xkdW			1.05 mM
2	NaN3			0.02 %
3	DTT			100 mM
4	CaCl2			5 mM
5	NaCl			100 mM
6	MES			20 mM
7	H2O			95 %
8	D2O			5 %

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LACS Plot; CA

Referencing offset: -0.2 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.2 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.07 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2HG7, Strand ID: A Detail

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Release date

2010-03-03

Citation

Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355
Liu, G., Parish, D., Xu, D., Atreya, H., Sukumaran, D., Ho, C.K., Jiang, M., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.

Related entities 1. Phage-like element PBSX protein xkdW, : 1 : 7 entities Detail

Experiments performed 5 experiments Detail