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Solution structure of the P22S mutant of N-terminal CS domain of human Shq1
Authors
Singh, M., Wang, Z., Cascio, D., Feigon, J.
Assembly
P22S mutant of N-terminal CS domain of human Shq1
Entity
1. P22S mutant of N-terminal CS domain of human Shq1 (polymer, Thiol state: not present), 133 monomers, 14596.15 Da Detail

GSTAIGMKET AAAKFERQHM DSPDLGTGGG SGDDDDKMLT PAFDLSQDPD FLTIAIRVSY ARVSEFDVYF EGSDFKFYAK PYFLRLTLPG RIVENGSEQG SYDADKGIFT IRLPKETPGQ HFEGLNMLTA LLA


Formula weight
14596.15 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 73.7 %, Completeness: 64.0 %, Completeness (bb): 71.9 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All64.0 % (966 of 1509)63.3 % (494 of 780)63.7 % (380 of 597)69.7 % (92 of 132)
Backbone71.9 % (564 of 784)71.1 % (194 of 273)72.2 % (278 of 385)73.0 % (92 of 126)
Sidechain58.3 % (492 of 844)59.2 % (300 of 507)58.0 % (192 of 331) 0.0 % (0 of 6)
Aromatic45.9 % (68 of 148)64.9 % (48 of 74)27.0 % (20 of 74)
Methyl71.1 % (91 of 128)57.8 % (37 of 64)84.4 % (54 of 64)

1. P22S mutant of human Shq1 CS domain

GSTAIGMKET AAAKFERQHM DSPDLGTGGG SGDDDDKMLT PAFDLSQDPD FLTIAIRVSY ARVSEFDVYF EGSDFKFYAK PYFLRLTLPG RIVENGSEQG SYDADKGIFT IRLPKETPGQ HFEGLNMLTA LLA

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 15N labeled sample


#NameIsotope labelingTypeConcentration
1P22S mutant of human Shq1 CS domain[U-15N]0.5 ~ 1.0 mM
2sodium phosphatenatural abundance20 mM
3sodium chloridenatural abundance100 mM
4DTTnatural abundance1 mM
5H2Onatural abundance95 %
6D2Onatural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 13C, 15N labeled sample


#NameIsotope labelingTypeConcentration
7P22S mutant of human Shq1 CS domain[U-99% 13C; U-99% 15N]0.5 ~ 1.0 mM
8sodium phosphatenatural abundance20 mM
9sodium chloridenatural abundance100 mM
10DTTnatural abundance1 mM
11H2Onatural abundance95 %
12D2Onatural abundance5 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 13C, 15N D2O sample


#NameIsotope labelingTypeConcentration
13P22S mutant of human Shq1 CS domain[U-99% 13C; U-99% 15N]0.5 ~ 1.0 mM
14sodium phosphatenatural abundance20 mM
15sodium chloridenatural abundance100 mM
16DTTnatural abundance1 mM
17D2Onatural abundance100 %

LACS Plot; CA
Referencing offset: -0.01 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.01 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.04 ppm, Outliers: 4 Detail
LACS Plot; CO
Referencing offset: 0.7 ppm, Outliers: 3 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2MNW, Strand ID: A Detail


Release date
2015-01-11
Citation
Structure and interactions of the CS domain of human H/ACA RNP assembly protein Shq1
Singh, M., Wang, Z., Cascio, D., Feigon, J.
J. Mol. Biol. (2015), 427, 807-823, PubMed 25553844 , DOI 10.1016/j.jmb.2014.12.012 ,
Related entities 1. P22S mutant of N-terminal CS domain of human Shq1, : 1 : 3 entities Detail
Experiments performed 16 experiments Detail
NMR combined restraints 6 contents Detail
Keywords CS domain, Shq1, NMR, Dyskerin, Cbf5, H/ACA