BMRBj - BMREntryMaster

2A3J

Assignment of the 1H, 13C, and 15N resonances of URNdesign, a computationally redisgned RRM protein

Authors

Dobson, N., Dantas, G., Varani, G.

Assembly

URNdesign

Entity

1. URNdesign (polymer, Thiol state: not present), 107 monomers, 11453.54 Da Detail

MDSPDLGSTP PHTEPSQVVL ITNINPEVPK EKLQALLYAL ASSQGDILDI VVDLSDDNSG KAYIVFATQE SAQAFVEAFQ GYPFQGNPLV ITFSETPQSQ VAEDGSL

Formula weight

11453.54 Da

Exptl. method

NMR

Refine. method

Simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 95.3 %, Completeness (bb): 95.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.3 % (1141 of 1197)	96.4 % (593 of 615)	94.3 % (444 of 471)	93.7 % (104 of 111)
Backbone	95.2 % (594 of 624)	96.2 % (203 of 211)	94.0 % (296 of 315)	96.9 % (95 of 98)
Sidechain	94.8 % (639 of 674)	95.0 % (384 of 404)	95.7 % (246 of 257)	69.2 % (9 of 13)
Aromatic	94.9 % (74 of 78)	94.9 % (37 of 39)	94.9 % (37 of 39)
Methyl	96.9 % (126 of 130)	96.9 % (63 of 65)	96.9 % (63 of 65)

1. URNdesign

MDSPDLGSTP PHTEPSQVVL ITNINPEVPK EKLQALLYAL ASSQGDILDI VVDLSDDNSG KAYIVFATQE SAQAFVEAFQ GYPFQGNPLV ITFSETPQSQ VAEDGSL

Temperature 298 (±0.5) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	URNdesign			1.0 mM

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: -2.19 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: -2.19 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: 0.07 ppm, Outliers: 2 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: -1.09 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2A3J, Strand ID: A Detail

Release date

2005-11-02

Citation

1H, 13C and 15N resonance assignments of URNdesign, a computationally redesigned RRM protein
Dobson, N., Dantas, G., Varani, G.
J. Biomol. NMR (2005), 33, 135-135, PubMed 16258832 , DOI 10.1007/s10858-005-1928-4 , Abstract