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BMRB: 16681

2KT1

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)

	Total	¹H	¹³C	¹⁵N
All	86.6 % (879 of 1015)	85.3 % (454 of 532)	88.2 % (350 of 397)	87.2 % (75 of 86)
Backbone	89.1 % (456 of 512)	88.3 % (158 of 179)	90.1 % (228 of 253)	87.5 % (70 of 80)
Sidechain	85.0 % (493 of 580)	83.9 % (296 of 353)	86.9 % (192 of 221)	83.3 % (5 of 6)
Aromatic	66.0 % (66 of 100)	66.0 % (33 of 50)	67.3 % (33 of 49)	0.0 % (0 of 1)
Methyl	97.5 % (78 of 80)	95.0 % (38 of 40)	100.0 % (40 of 40)

1. HR5531E

MAGPEGFQYR ALYPFRRERP EDLELLPGDV LVVSRAALQA LGVAEGGERC PQSVGWMPGL NERTRQRGDF PGTYVEFLGP LEHHHHHH

Show sample condition

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

#	Name	Isotope labeling	Concentration
1	HR5531E	[U-100% 13C; U-100% 15N]	0.62 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DSS	natural abundance	50 uM
5	DTT	natural abundance	10 mM
6	H2O	natural abundance	95 %
7	D2O	natural abundance	5 %

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

#	Name	Isotope labeling	Concentration
8	HR5531E	[U-5% 13C; U-100% 15N]	0.50 mM
9	sodium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	100 mM
11	DSS	natural abundance	50 uM
12	DTT	natural abundance	10 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: -0.35 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.35 ppm, Outliers: 1 Detail

LACS Plot; HA

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

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

More details for 67 interactors identified by 24 citations

Experiments performed 19 experiments Detail

1 2D 1H-15N HSQC