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BMRB: 25868

2N8W

Solution NMR Structure of Designed Protein DA05R1, Northeast Structural Genomics Consortium (NESG) Target OR690

Authors

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

Assembly

DA05R1

Entity

1. DA05R1 (polymer, Thiol state: not present), 208 monomers, 23804.60 Da Detail

ADENIAKFEK AYKKAEELNQ GELMGRALYN IGLEKNKMGK AREAAEYFFR AAIVFYKEHD TDGLRRAAKS LKEAITAIPE EEGRKEAKEM AKKAEEWLQA EQNNADENIA KFEKAYKKAE ELNQGELMGR ALYNIGLEKN KMGKAREAAE YFFRAAIVFY KEHDTDGLRR AAKSLKEAIT AIPEEEGRKE AKEMAKKAEE WLQAEQNN

Formula weight

23804.6 Da

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 57.2 %, Completeness: 52.7 %, Completeness (bb): 53.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	52.7 % (1311 of 2488)	52.2 % (688 of 1318)	53.8 % (508 of 944)	50.9 % (115 of 226)
Backbone	53.1 % (660 of 1244)	53.1 % (226 of 426)	53.8 % (329 of 612)	51.0 % (105 of 206)
Sidechain	52.9 % (762 of 1440)	51.8 % (462 of 892)	54.9 % (290 of 528)	50.0 % (10 of 20)
Aromatic	54.5 % (96 of 176)	54.5 % (48 of 88)	54.7 % (47 of 86)	50.0 % (1 of 2)
Methyl	57.6 % (106 of 184)	58.7 % (54 of 92)	56.5 % (52 of 92)

1. DA05R1

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	DA05R1	[U-5% 13C; U-15N]	660 uM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	50 mM
4	sodium azide	natural abundance	0.02 %
5	protein inhibitor cocktail	natural abundance	1 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	DA05R1	[U-13C; U-15N]	1 mM
8	sodium phosphate	natural abundance	25 mM
9	sodium chloride	natural abundance	50 mM
10	sodium azide	natural abundance	0.02 %
11	protein inhibitor cocktail	natural abundance	1 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: -0.04 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: -0.04 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: 0.01 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

Referencing offset: -0.43 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N8W, Strand ID: A Detail

Release date

2015-11-22

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

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC