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1H, 13C, and 15N Chemical Shift Assignments and coupling constants for the HRDC domain from S. cerevisiae Sgs1 RecQ helicase
Authors
Liu, Z., Macias, M.J., Bottomley, M.J., Stier, G., Linge, J.P., Nilges, M., Bork, P., Sattler, M.
Assembly
HRDC domain
Entity
1. HRDC domain (polymer, Thiol state: not present), 91 monomers, 10681.35 Da Detail

MKHHHHHHPM ELNNLRMTYE RLRELSLNLG NRMVPPVGNF MPDSILKKMA AILPMNDSAF ATLGTVEDKY RRRFKYFKAT IADLSKKRSS E


Formula weight
10681.35 Da
Source organism
Saccharomyces cerevisiae
Exptl. method
NMR
Refine. method
ARIA (AMBIGUOUS RESTRAINTS IN ITERATIVE ASSIGNMENTS) AMBIGUOUS DISTANCE RESTRAINTS SIMULATED ANNEALING WITH TORSION ANGLE DYNAMICS
Data set
assigned_chemical_shifts, coupling_constants
Chem. Shift Complete1
Sequence coverage: 91.2 %, Completeness: 77.7 %, Completeness (bb): 77.4 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All77.7 % (863 of 1111)81.8 % (480 of 587)69.2 % (299 of 432)91.3 % (84 of 92)
Backbone77.4 % (415 of 536)91.1 % (164 of 180)64.1 % (173 of 270)90.7 % (78 of 86)
Sidechain79.6 % (528 of 663)77.6 % (316 of 407)82.4 % (206 of 250)100.0 % (6 of 6)
Aromatic40.9 % (36 of 88)43.2 % (19 of 44)38.6 % (17 of 44)
Methyl98.8 % (83 of 84)100.0 % (42 of 42)97.6 % (41 of 42)

1. HRDC domain of Sgs1 RecQ helicase

MKHHHHHHPM ELNNLRMTYE RLRELSLNLG NRMVPPVGNF MPDSILKKMA AILPMNDSAF ATLGTVEDKY RRRFKYFKAT IADLSKKRSS E

Sample

Pressure 1 atm, Temperature 295 (±0.3) K, pH 6.5 (±0.2)


#NameIsotope labelingTypeConcentration
5HRDC domain of Sgs1 RecQ helicase[U-13C; U-15N]1.5 ~ 1.8 mM
6sodium phosphate20 mM
7D2O100 %

Chem. Shift Complete2
Sequence coverage: 91.2 %, Completeness: 62.9 %, Completeness (bb): 62.1 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All62.9 % (1398 of 2222)77.3 % (907 of 1174)38.7 % (334 of 864)85.3 % (157 of 184)
Backbone62.1 % (666 of 1072)88.6 % (319 of 360)36.3 % (196 of 540)87.8 % (151 of 172)
Sidechain61.8 % (819 of 1326)72.2 % (588 of 814)45.0 % (225 of 500)50.0 % (6 of 12)
Aromatic34.7 % (61 of 176)45.5 % (40 of 88)23.9 % (21 of 88)
Methyl76.2 % (128 of 168)98.8 % (83 of 84)53.6 % (45 of 84)

1. HRDC domain of Sgs1 RecQ helicase

MKHHHHHHPM ELNNLRMTYE RLRELSLNLG NRMVPPVGNF MPDSILKKMA AILPMNDSAF ATLGTVEDKY RRRFKYFKAT IADLSKKRSS E

Sample

Pressure 1 atm, Temperature 295 (±0.3) K, pH 6.5 (±0.2)


#NameIsotope labelingTypeConcentration
1HRDC domain of Sgs1 RecQ helicase[U-15N]1.5 ~ 1.8 mM
2sodium phosphate20 mM
3H2O90 %
4D2O10 %

Protein Blocks Logo
Calculated from 15 models in PDB: 1D8B, Strand ID: A Detail


Coupling constant
53 J values in 1 lists
Pressure 1 atm, Temperature 295 (±0.3) K, pH 6.5 (±0.2) Detail
Release date
2000-07-17
Citation 1
The 3D structure of the HRDC domain and implications for the Werner and Bloom syndrome proteins
Stier, G., Linge, J.P., Nilges, M., Bork, P., Sattler, M., Macias, M.J., Bottomley, M.J., Liu, Z.
Structure (1999), 7, 1557-1566, PubMed , DOI:
Citation 2
Ambiguous NOEs and automated NOE assignment
Nilges, M., O'Donoghue, S.I.
Prog. NMR Spectroscopy (1998), 32, 107-139, PubMed , DOI 10.1016/S0079-6565(97)00025-3
Citation 3
Crystallography & NMR system: A new software suite for macromolecular structure determination
Pannu, N.S., Read, R.J., Rice, L.M., Warren, G.L., Simonson, T., Brunger, A.T., Adams, P.D., Clore, G.M., DeLano, W.L., Gros, P., Grosse-Kunstleve, R.W., Jiang, J.S., Kuszewski, J., Nilges, M.
Acta Crystallogr. D. Biol. Crystallogr. (1998), 54, 905-921, PubMed 9757107 , DOI: ,
Citation 4
Refinement of the protein backbone angle psi in NMR structure calculations
Nilges, M., Sprangers, R., Bottomley, M., Linge, J., Schultz, J., Sattler, M.
J. Biomol. NMR (2000), 16, 47-58, PubMed 10718612 , DOI: ,
Citation 5
Influence of non-bonded parameters on the quality of NMR structures: a new force field for NMR structure calculation
Linge, J., Nilges, M.
J. Biomol. NMR (1999), 13, 51-59, PubMed 10905826 , DOI: ,
Citation 6
Automated assignment of ambiguous nuclear overhauser effects with ARIA
O'Donoghue, S.I., Linge, J.P., Nilges, M.
Methods. Enzymol. (2001), 339, 71-90, PubMed 11462826 , DOI: ,
Related entities 1. HRDC domain, : 1 : 2 entities Detail
Interaction partners 1. HRDC domain, : 18 interactors Detail
Experiments performed 16 experiments Detail
nullKeywords Bloom syndrome, Werner syndrome, HRDC domain, RecQ helicases