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BMRB: 17306

2L6B

NRC consensus ankyrin repeat protein backbone and sidechain assignments

Authors

Aksel, T., Majumdar, A., Barrick, D.

Assembly

NR1C

Entity

1. NR1C (polymer, Thiol state: not present), 115 monomers, 12317.57 Da Detail

GHMWGSKDGN TPLHNAAKNG HAEEVKKLLS KGADVNARSK DGNTPLHLAA KNGHAEIVKL LLAKGADVNA RSKDGNTPEH LAKKNGHHEI VKLLDAKGAD VNARSWGSSH HHHHH

Formula weight

12317.57 Da

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts, heteronucl_NOEs, heteronucl_T1_relaxation, heteronucl_T2_relaxation, order_parameters

Chem. Shift Complete

Sequence coverage: 93.9 %, Completeness: 82.8 %, Completeness (bb): 89.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.8 % (1051 of 1269)	80.7 % (532 of 659)	85.0 % (413 of 486)	85.5 % (106 of 124)
Backbone	89.8 % (614 of 684)	87.9 % (210 of 239)	90.1 % (300 of 333)	92.9 % (104 of 112)
Sidechain	77.3 % (532 of 688)	76.7 % (322 of 420)	81.3 % (208 of 256)	16.7 % (2 of 12)
Aromatic	13.8 % (11 of 80)	17.5 % (7 of 40)	7.9 % (3 of 38)	50.0 % (1 of 2)
Methyl	92.0 % (103 of 112)	89.3 % (50 of 56)	94.6 % (53 of 56)

1. NR1C

GHMWGSKDGN TPLHNAAKNG HAEEVKKLLS KGADVNARSK DGNTPLHLAA KNGHAEIVKL LLAKGADVNA RSKDGNTPEH LAKKNGHHEI VKLLDAKGAD VNARSWGSSH HHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 25 mM NaPO4- 25 mM NaCl pH 6.5 25C

#	Name	Isotope labeling	Concentration
1	NR1C	[U-100% 13C; U-100% 15N]	2 mM
2	sodium phosphate	natural abundance	25 mM
3	sodium chloride	natural abundance	25 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: 0.12 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.12 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.58 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L6B, Strand ID: A Detail

Heteronucl. T₁

94 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Heteronucl. T₂

94 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Heteronucl. NOE

94 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Heteronucl. T₁/T₂

94 T₁/T₂ values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Order parameters

85 S² values in 1 lists
Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2011-03-20

Citation

The contribution of entropy, enthalpy, and hydrophobic desolvation to cooperativity in repeat-protein folding
Aksel, T., Majumdar, A., Barrick, D.
Structure (2011), 19, 349-360, PubMed 21397186 , DOI 10.1016/j.str.2010.12.018 , Abstract

Related entities 1. NR1C, : 1 : 1340 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC