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BMRB: 30223

5UCF

Solution NMR-derived model of the minor species of DANCER-2, a dynamic and natively folded pentamutant of the B1 domain of streptococcal protein G (GB1)

Authors

Damry, A.M., Davey, J.A., Goto, N.K., Chica, R.A.

Assembly

Immunoglobulin G-binding protein G

Entity

1. Immunoglobulin G-binding protein G (polymer, Thiol state: not present), 56 monomers, 6227.775 Da Detail

MTFKAIINGK TLKGETTTEA VDAATAEKVF KQYFNDNGLD GEWTYDDATK TFTVTE

Formula weight

6227.775 Da

Source organism

Streptococcus sp. GX7805

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.0 %, Completeness (bb): 99.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.0 % (565 of 635)	84.8 % (273 of 322)	91.7 % (231 of 252)	100.0 % (61 of 61)
Backbone	99.4 % (334 of 336)	98.3 % (114 of 116)	100.0 % (164 of 164)	100.0 % (56 of 56)
Sidechain	80.6 % (283 of 351)	77.2 % (159 of 206)	85.0 % (119 of 140)	100.0 % (5 of 5)
Aromatic	47.1 % (32 of 68)	47.1 % (16 of 34)	45.5 % (15 of 33)	100.0 % (1 of 1)
Methyl	93.5 % (58 of 62)	93.5 % (29 of 31)	93.5 % (29 of 31)

1. entity 1

MTFKAIINGK TLKGETTTEA VDAATAEKVF KQYFNDNGLD GEWTYDDATK TFTVTE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	EDTA	natural abundance	100 uM
2	protein (GB1)	[U-98% 15N]	200 uM
3	sodium azide	natural abundance	0.02 %
4	sodium phosphate	natural abundance	10 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 100% D2O

#	Name	Isotope labeling	Concentration
5	EDTA	natural abundance	100 uM
6	protein (GB1)	[U-99% 13C; U-98% 15N]	200 uM
7	sodium azide	natural abundance	0.02 %
8	sodium phosphate	natural abundance	10 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 200 uM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
9	EDTA	natural abundance	100 uM
10	protein (GB1)	[U-99% 13C; U-98% 15N]	200 uM
11	sodium azide	natural abundance	0.02 %
12	sodium phosphate	natural abundance	10 mM

LACS Plot; CA

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

Referencing offset: -0.37 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.37 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.12 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.08 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 5UCF, Strand ID: A Detail

Release date

2017-02-01

Citation

Rational design of proteins that exchange on functional timescales
Davey, J.A., Damry, A.M., Goto, N.K., Chica, R.A.
Nat. Chem. Biol. (2017), 13, 1280-1285, PubMed 29058725 , DOI 10.1038/nchembio.2503 , Abstract

Related entities 1. Immunoglobulin G-binding protein G, : 1 : 1 : 115 entities Detail

Interaction partners 1. Immunoglobulin G-binding protein G, : 1 interactors Detail

More details for 1 interactors identified by 1 citations