BMRB: 5750

1H, 13C, and 15N Chemical Shift Assignments for the extracellular domain of BR3

Authors

Gordon, N.C., Pan, B., Hymowitz, S.G., Yin, J., Kelley, R.F., Cochran, A.G., Yan, M., Dixit, V.M., Fairbrother, W.J., Starovasnik, M.A.

Assembly

BLyS Receptor 3

Entity

1. BLyS Receptor 3 (polymer, Thiol state: all disulfide bound), 63 monomers, 6672.727 Da Detail

AMARRGPRSL RGRDAPAPTP CVPAECFDLL VRHCVACGLL RTPRPKPAGA SSPAPRTALQ PQE

Formula weight

6672.727 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	0:CYS21:SG	1:CYS34:SG
2	disulfide	sing	0:CYS26:SG	1:CYS37:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

torsion angle dynamics simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 71.0 %, Completeness (bb): 83.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	71.0 % (488 of 687)	70.1 % (256 of 365)	67.5 % (181 of 268)	94.4 % (51 of 54)
Backbone	83.1 % (296 of 356)	90.8 % (108 of 119)	74.1 % (137 of 185)	98.1 % (51 of 52)
Sidechain	60.0 % (234 of 390)	60.6 % (149 of 246)	59.9 % (85 of 142)	0.0 % (0 of 2)
Aromatic	42.9 % (6 of 14)	85.7 % (6 of 7)	0.0 % (0 of 7)
Methyl	82.3 % (51 of 62)	87.1 % (27 of 31)	77.4 % (24 of 31)

1. BR3 or BAFF-R

AMARRGPRSL RGRDAPAPTP CVPAECFDLL VRHCVACGLL RTPRPKPAGA SSPAPRTALQ PQE

Show sample condition

Sample

Temperature 293 (±1) K, pH 5.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	BR3 or BAFF-R	[U-15N]		1.5 mM
2	sodium phosphate			25 mM
3	sodium chloride			50 mM

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LACS Plot; CA

Referencing offset: 0.26 ppm, Outliers: 1 Detail

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Chemical shift reference

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

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LACS Plot; CB

Referencing offset: 0.26 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
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; HA

Referencing offset: -0.04 ppm, Outliers: 3 Detail

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Chemical shift reference

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

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LACS Plot; CO

Referencing offset: 0.16 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
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

Calculated from 20 models in PDB: 1OSX, Strand ID: A Detail

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Release date

2003-05-21

Citation

BAFF/BLyS receptor 3 comprises a minimal TNF receptor-like module that encodes a highly focused ligand-binding site
Gordon, N.C., Pan, B., Hymowitz, S.G., Yin, J., Kelley, R.F., Cochran, A.G., Yan, M., Dixit, V.M., Fairbrother, W.J., Starovasnik, M.A.
Biochemistry (2003), 42, 5977-5983, PubMed 12755599 , DOI 10.1021/bi034017g , Abstract

Related entities 1. BLyS Receptor 3, : 1 : 3 : 5 entities Detail