BMRBj - BMREntryMaster

Found 1 Document (0.825 seconds)

BMRB: 25850

2N8I

Solution NMR Structure of Designed Protein DA05, Northeast Structural Genomics Consortium (NESG) Target OR626

Authors

Xu, X., Eletsky, A., Federizon, J.F., Jacobs, T.M., Kuhlman, B., Szyperski, T.

Assembly

DA05

Entity

1. DA05 (polymer, Thiol state: not present), 200 monomers, 22238.78 Da Detail

GGSPDENIAK FEKAYKKAEE LNQGELMGRA LYNIGLEKNK MGKVKEAIEY FLRAKKVFDA EHDTDGARRA AKSLSEAYQK VEGSGDKGKI FQKEGESILE GGSPDENIAK FEKAYKKAEE LNQGELMGRA LYNIGLEKNK MGKVKEAIEY FLRAKKVFDA EHDTDGARRA AKSLSEAYQK VEGSGDKGKI FQKEGESILE

Formula weight

22238.78 Da

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 60.5 %, Completeness: 54.9 %, Completeness (bb): 57.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	54.9 % (1290 of 2348)	53.2 % (662 of 1244)	56.7 % (506 of 892)	57.5 % (122 of 212)
Backbone	57.2 % (684 of 1196)	56.0 % (235 of 420)	57.8 % (334 of 578)	58.1 % (115 of 198)
Sidechain	53.8 % (715 of 1330)	51.8 % (427 of 824)	57.1 % (281 of 492)	50.0 % (7 of 14)
Aromatic	50.0 % (76 of 152)	50.0 % (38 of 76)	50.0 % (38 of 76)
Methyl	57.7 % (97 of 168)	56.0 % (47 of 84)	59.5 % (50 of 84)

1. DA05

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	DA05	[U-13C; U-15N]	600 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	50 mM
4	sodium azide	natural abundance	0.02 %
5	PMSF	natural abundance	0.5 mM
6	DSS	natural abundance	50 uM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	DA05	[U-5% 13C; U-15N]	200 uM
8	sodium phosphate	natural abundance	25 mM
9	sodium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.02 %
11	PMSF	natural abundance	0.5 mM
12	DSS	natural abundance	50 uM

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: 0.03 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: 0.03 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: -0.28 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N8I, Strand ID: A Detail

Release date

2016-01-18

Citation

Design of Structurally Unique Proteins Using Strategies Inspired by Evolution
Jacobs, T.M., Xu, X., Eletsky, A., Federizon, J.F., Szyperski, T., Kuhlman, B.
Not known

Related entities 1. DA05, : 39 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC