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Solution NMR Structure of the SH3 Domain from the p85beta subunit of Phosphatidylinositol 3-kinase from H.sapiens. Northeast Structural Genomics Consortium Target HR5531E.
Authors
Aramini, J.M., Ma, L., Schauder, C., Everett, J.K., Montelione, G.T.
Assembly
HR5531E
Entity
1. HR5531E (polymer, Thiol state: all free), 88 monomers, 9944.062 Da Detail

MAGPEGFQYR ALYPFRRERP EDLELLPGDV LVVSRAALQA LGVAEGGERC PQSVGWMPGL NERTRQRGDF PGTYVEFLGP LEHHHHHH


Formula weight
9944.062 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing, null
Data set
assigned_chemical_shifts, spectral_peak_list
Chem. Shift Complete
Sequence coverage: 93.2 %, Completeness: 86.6 %, Completeness (bb): 89.1 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All86.6 % (879 of 1015)85.3 % (454 of 532)88.2 % (350 of 397)87.2 % (75 of 86)
Backbone89.1 % (456 of 512)88.3 % (158 of 179)90.1 % (228 of 253)87.5 % (70 of 80)
Sidechain85.0 % (493 of 580)83.9 % (296 of 353)86.9 % (192 of 221)83.3 % (5 of 6)
Aromatic66.0 % (66 of 100)66.0 % (33 of 50)67.3 % (33 of 49) 0.0 % (0 of 1)
Methyl97.5 % (78 of 80)95.0 % (38 of 40)100.0 % (40 of 40)

1. HR5531E

MAGPEGFQYR ALYPFRRERP EDLELLPGDV LVVSRAALQA LGVAEGGERC PQSVGWMPGL NERTRQRGDF PGTYVEFLGP LEHHHHHH

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 0.62 mM [U-100% 13C; U-100% 15N] HR5531E, 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
1HR5531E[U-100% 13C; U-100% 15N]0.62 mM
2sodium phosphatenatural abundance20 mM
3sodium chloridenatural abundance100 mM
4DSSnatural abundance50 uM
5DTTnatural abundance10 mM
6H2Onatural abundance95 %
7D2Onatural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 0.5 mM [U-5% 13C; U-100% 15N] HR5531E, 95% H2O/5% D2O


#NameIsotope labelingTypeConcentration
8HR5531E[U-5% 13C; U-100% 15N]0.50 mM
9sodium phosphatenatural abundance20 mM
10sodium chloridenatural abundance100 mM
11DSSnatural abundance50 uM
12DTTnatural abundance10 mM
13H2Onatural abundance95 %
14D2Onatural abundance5 %

LACS Plot; CA
Referencing offset: -0.35 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.35 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: -0.04 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.27 ppm, Outliers: 2 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2KT1, Strand ID: A Detail


Release date
2010-02-21
Related entities 1. HR5531E, : 1 : 141 entities Detail
Interaction partners 1. HR5531E, : 67 interactors Detail
Experiments performed 19 experiments Detail
NMR combined restraints 4 contents Detail
Keywords NESG, PI3K, SH3 domain, solution NMR structure, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), PSI-2, Protein NMR, Protein Structure Initiative, Structural Genomics, Target HR5531E