BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 16756

Title: Structure of a regulatory complex infolving the Ab1 SH3 domain, the Crk SH2 domain and a Crk-derived phosphopeptide   PubMed: 12384576

Deposition date: 2010-03-03 Original release date: 2010-03-24

Authors: Donaldson, Logan; Gish, Gerald; Pawson, Tony; Kay, Lewis; Forman-Kay, Julie

Citation: Donaldson, Logan; Gish, Gerald; Pawson, Tony; Kay, Lewis; Forman-Kay, Julie. "Structure of a regulatory complex involving the Abl SH3 domain, the Crk SH2 domain, and a Crk-derived phosphopeptide"  Proc. Natl. Acad. Sci. U.S.A. 99, 14053-14058 (2002).

Assembly members:
Abl, polymer, 61 residues, Formula weight is not available
Crk, polymer, 108 residues, Formula weight is not available
Crk_pY221, polymer, 13 residues, Formula weight is not available

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
Abl: DPNLFVALYDFVASGDNTLS ITKGEKLRVLGYNHNGEWCE AQTKNGQGWVPSNYITPVNS K
Crk: SWYWGRLSRQEAVALLQGQR HGVFLVRDSSTSPGDYVLSV SENSRVSHYIINSSGPRPPV PPSPAQPPPGVSPSRLRIGD QEFDSLPALLEFYKIHYLDT TTLIPVSR
Crk_pY221: EPGPYAQPSVNTK

Data sets:
  • assigned_chemical_shifts
  • binding_constants
Data typeCount
binding constants6

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Abl1
2Crk2
3Crk pY2213

Entities:

Entity 1, Abl 61 residues - Formula weight is not available

1   ASPPROASNLEUPHEVALALALEUTYRASP
2   PHEVALALASERGLYASPASNTHRLEUSER
3   ILETHRLYSGLYGLULYSLEUARGVALLEU
4   GLYTYRASNHISASNGLYGLUTRPCYSGLU
5   ALAGLNTHRLYSASNGLYGLNGLYTRPVAL
6   PROSERASNTYRILETHRPROVALASNSER
7   LYS

Entity 2, Crk 108 residues - Formula weight is not available

1   SERTRPTYRTRPGLYARGLEUSERARGGLN
2   GLUALAVALALALEULEUGLNGLYGLNARG
3   HISGLYVALPHELEUVALARGASPSERSER
4   THRSERPROGLYASPTYRVALLEUSERVAL
5   SERGLUASNSERARGVALSERHISTYRILE
6   ILEASNSERSERGLYPROARGPROPROVAL
7   PROPROSERPROALAGLNPROPROPROGLY
8   VALSERPROSERARGLEUARGILEGLYASP
9   GLNGLUPHEASPSERLEUPROALALEULEU
10   GLUPHETYRLYSILEHISTYRLEUASPTHR
11   THRTHRLEUILEPROVALSERARG

Entity 3, Crk pY221 13 residues - Formula weight is not available

1   GLUPROGLYPROTYRALAGLNPROSERVAL
2   ASNTHRLYS

Samples:

sample_1: Abl, [U-15N], 0.47 mM; sodium phosphate 50 mM; sodium azide 0.02%; H2O 1%; D2O 99%

sample_2: Abl, [U-15N], 0.47 mM; Crk 0.1175 mM; Crk pY221 0.1175 mM; sodium phosphate 50 mM; sodium azide 0.02%; H2O 1%; D2O 99%

sample_3: Abl, [U-15N], 0.47 mM; Crk 0.235 mM; Crk pY221 0.235 mM; sodium phosphate 50 mM; sodium azide 0.02%; H2O 1%; D2O 99%

sample_4: Abl, [U-15N], 0.47 mM; Crk 0.3525 mM; Crk pY221 0.3525 mM; sodium phosphate 50 mM; sodium azide 0.02%; H2O 1%; D2O 99%

sample_5: Abl, [U-15N], 0.47 mM; Crk 0.47 mM; Crk pY221 0.47 mM; sodium phosphate 50 mM; sodium azide 0.02%; H2O 1%; D2O 99%

sample_6: Abl, [U-15N], 0.47 mM; Crk 0.705 mM; Crk pY221 0.705 mM; sodium phosphate 50 mM; sodium azide 0.02%; H2O 1%; D2O 99%

sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_4isotropicsample_conditions_1
2D 1H-15N HSQCsample_5isotropicsample_conditions_1
2D 1H-15N HSQCsample_6isotropicsample_conditions_1
NOESY-HSQCsample_1isotropicsample_conditions_1
NOESY-HSQCsample_2isotropicsample_conditions_1
NOESY-HSQCsample_3isotropicsample_conditions_1
NOESY-HSQCsample_4isotropicsample_conditions_1
NOESY-HSQCsample_5isotropicsample_conditions_1
NOESY-HSQCsample_6isotropicsample_conditions_1
TOCSY-HSQCsample_1isotropicsample_conditions_1
TOCSY-HSQCsample_2isotropicsample_conditions_1
TOCSY-HSQCsample_3isotropicsample_conditions_1
TOCSY-HSQCsample_4isotropicsample_conditions_1
TOCSY-HSQCsample_5isotropicsample_conditions_1
TOCSY-HSQCsample_6isotropicsample_conditions_1

Software:

PIPP, Garrett - data analysis

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

ARIA, Linge, O, . - structure solution

CNS v1.0, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

TALOS, Cornilescu, Delaglio and Bax - structure solution

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - structure assessment

NMR spectrometers:

  • Varian Unity Inova 500 MHz
  • Varian Unity Inova 600 MHz
  • Varian Unity Inova 800 MHz

Related Database Links:

PDB
DBJ BAC41088 BAD92693 BAG10808 BAA01505 BAA07924 BAB61871 BAB61872 BAC25792
EMBL CAA10376 CAA10377 CAA34438 CAF99203 CAM33012
GB AAA35593 AAA35697 AAA37135 AAA37136 AAA37137 AAB30755 AAH01718 AAH08506 AAH09837 AAH12216
PIR B24773 C24773 D24773 A46243 I58394
PRF 1107272A 1107272B
REF NP_001094320 NP_001106174 NP_001193789 NP_001269974 NP_001269975 NP_001131108 NP_001179263 NP_001264148 NP_001264150 NP_005197
SP P00519 P00520 P10447 P46108 Q63768 Q64010
TPG DAA24240 DAA19004