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Solution structure of the SH2 domain of Csk in complex with a phosphopeptide from Cbp
Authors
Tanaka, H., Akagi, K., Oneyama, C., Tanaka, M., Sasaki, Y., Kanou, T., Lee, Y., Yokogawa, D., Debenecker, M., Nakagawa, A., Okada, M., Ikegami, T.
Assembly
Csk SH2:Cbp phosphopeptide complex
Entity
1. Csk SH2 (polymer, Thiol state: free and disulfide bound), 99 monomers, 11459.02 Da Detail

GPLGSMPWFH GKITREQAER LLYPPETGLF LVRESTNYPG DYTLCVSCEG KVEHYRIMYH ASKLSIDEEV YFENLMQLVE HYTTDADGLC TRLIKPKVM


2. Cbp phosphopeptide (polymer, Thiol state: not present), 38 monomers, 4258.525 Da Detail

GPLGSKRFSS LSYKSREEDP TLTEEEISAM XSSVNKPG


Total weight
15717.545 Da
Max. entity weight
11459.02 Da
Entity Connection
disulfide 1 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS48:SG1:CYS90:SG

Source organism
Rattus norvegicus
Exptl. method
solution NMR
Refine. method
simulated annealing, torsion angle dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.5 %, Completeness: 92.3 %, Completeness (bb): 97.1 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All92.3 % (1466 of 1588)90.8 % (753 of 829)92.8 % (581 of 626)99.2 % (132 of 133)
Backbone97.1 % (775 of 798)96.7 % (264 of 273)96.7 % (385 of 398)99.2 % (126 of 127)
Sidechain89.1 % (816 of 916)87.9 % (489 of 556)90.7 % (321 of 354)100.0 % (6 of 6)
Aromatic62.9 % (83 of 132)65.2 % (43 of 66)60.0 % (39 of 65)100.0 % (1 of 1)
Methyl100.0 % (130 of 130)100.0 % (65 of 65)100.0 % (65 of 65)

1. Csk SH2

GPLGSMPWFH GKITREQAER LLYPPETGLF LVRESTNYPG DYTLCVSCEG KVEHYRIMYH ASKLSIDEEV YFENLMQLVE HYTTDADGLC TRLIKPKVM

2. Cbp phosphopeptide

GPLGSKRFSS LSYKSREEDP TLTEEEISAM XSSVNKPG

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0


#NameIsotope labelingTypeConcentration
1Csk SH2 domain[U-13C; U-15N]protein0.5 ~ 1.0 mM
2sodium phosphatenatural abundance20 mM
3sodium chloridenatural abundance50 mM
4Cbp phosphopeptidenatural abundanceprotein0.5 ~ 1.0 mM
5H2Onatural abundancesolvent90 %
6D2O[U-99% 2H]solvent10 %
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0


#NameIsotope labelingTypeConcentration
7Csk SH2 domain[U-15N]protein0.5 ~ 1.0 mM
8sodium phosphatenatural abundance20 mM
9sodium chloridenatural abundance50 mM
10Cbp phosphopeptidenatural abundanceprotein0.5 ~ 1.0 mM
11H2Onatural abundance90 %
12D2O[U-99% 2H]10 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0


#NameIsotope labelingTypeConcentration
13Cbp phosphopeptide[U-13C; U-15N]protein0.5 ~ 1.0 mM
14sodium phosphatenatural abundance20 mM
15sodium chloridenatural abundance50 mM
16Csk SH2 domainnatural abundanceprotein0.5 ~ 1.0 mM
17H2Onatural abundance90 %
18D2O[U-99% 2H]10 %
Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0


#NameIsotope labelingTypeConcentration
19Cbp phosphopeptide[U-15N]protein0.5 ~ 1.0 mM
20sodium phosphatenatural abundance20 mM
21sodium chloridenatural abundance50 mM
22Csk SH2 domainnatural abundanceprotein0.5 ~ 1.0 mM
23H2Onatural abundance90 %
24D2O[U-99% 2H]10 %
Sample #5

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0


#NameIsotope labelingTypeConcentration
25Csk SH2 domain[U-13C; U-15N]protein0.5 ~ 1.0 mM
26sodium phosphatenatural abundance20 mM
27sodium chloridenatural abundance50 mM
28Cbp phosphopeptidenatural abundanceprotein0.5 ~ 1.0 mM
29D2O[U-99% 2H]100 %
Sample #6

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0


#NameIsotope labelingTypeConcentration
30Cbp phosphopeptide[U-13C; U-15N]protein0.5 ~ 1.0 mM
31sodium phosphatenatural abundance20 mM
32sodium chloridenatural abundance50 mM
33Csk SH2 domainnatural abundanceprotein0.5 ~ 1.0 mM
34D2O[U-2H]100 %

LACS Plot; CA
Referencing offset: -0.24 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.24 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.01 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.2 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2RSY, Strand ID: A, B Detail


Release date
2013-04-07
Citation
A new SH2 domain binding mode of C-terminal Src kianse to Cbp/PAG"
Tanaka, H., Akagi, K., Oneyama, C., Tanaka, M., Sasaki, Y., Kanou, T., Lee, Y., Yokogawa, D., Debenecker, M., Nakagawa, A., Okada, M., Ikegami, T.
Not known
Related entities 1. Csk SH2, : 2 : 93 entities Detail
Related entities 2. Cbp phosphopeptide, : 1 : 4 : 3 entities Detail
Interaction partners 2. Cbp phosphopeptide, : 8 interactors Detail
Experiments performed 38 experiments Detail
nullKeywords Cbp, Csk, nmr, SH2 domain, solution structure