BMRB Entry 15016

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR15016
MolProbity Validation Chart

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Title:
Solution structure of the Su(dx) WW4 - Notch peptide complex
Deposition date:
2006-11-05
Original release date:
2007-10-09
Authors:
Avis, Johanna; Blankley, Richard; Jennings, Martin; Golovanov, Alexander
Citation:

Citation: Jennings, Martin; Blankley, Richard; Baron, Martin; Golovanov, Alexander; Avis, Johanna. "Specificity and Autoregulation of Notch Binding by Tandem WW Domains in Suppressor of Deltex."  J. Biol. Chem. 282, 29032-29042 (2007).
PubMed: 17656366

Assembly members:

Assembly members:
Su(dx), polymer, 53 residues, 5921.61 Da.
Notch, polymer, 21 residues, 2159.40 Da.

Natural source:

Natural source:   Common Name: fruit fly   Taxonomy ID: 7227   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Drosophila melanogaster

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-6P-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Su(dx): GPLGSPEFHMVSLINEGPLP PGWEIRYTAAGERFFVDHNT RRTTFEDPRPGAP
Notch: GPLGSPNTGAKQPPSYEDCI K

Data sets:
Data typeCount
13C chemical shifts305
15N chemical shifts63
1H chemical shifts414

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1WW41
2L/PPxY motif2

Entities:

Entity 1, WW4 53 residues - 5921.61 Da.

Residues 1-10 Represent plasmid derived sequence

1   GLYPROLEUGLYSERPROGLUPHEHISMET
2   VALSERLEUILEASNGLUGLYPROLEUPRO
3   PROGLYTRPGLUILEARGTYRTHRALAALA
4   GLYGLUARGPHEPHEVALASPHISASNTHR
5   ARGARGTHRTHRPHEGLUASPPROARGPRO
6   GLYALAPRO

Entity 2, L/PPxY motif 21 residues - 2159.40 Da.

Residues 1-6 are plasmid derived

1   GLYPROLEUGLYSERPROASNTHRGLYALA
2   LYSGLNPROPROSERTYRGLUASPCYSILE
3   LYS

Samples:

Labelled_WW4: Su(dx), [U-13C; U-15N], 0.4 – 0.6 mM; Notch1.5 – 2.5 mM; sodium chloride 45 mM; DTT 9 mM; EDTA 0.9 mM; Arginine 45 mM; Glutamate 45 mM; D2O 10%

Labelled_Notch: Notch, [U-13C; U-15N], 0.4 – 0.6 mM; Su(dx)1.5 – 2.5 mM; sodium chloride 45 mM; DTT 9 mM; EDTA 0.9 mM; Arginine 45 mM; Glutamate 45 mM; D2O 10%

Standard_conditions: pH: 6.75; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCLabelled_WW4isotropicStandard_conditions
2D 1H-15N HSQCLabelled_NotchisotropicStandard_conditions
3D HNCOLabelled_WW4isotropicStandard_conditions
3D HNCOLabelled_NotchisotropicStandard_conditions
3D HNCALabelled_WW4isotropicStandard_conditions
3D HNCALabelled_NotchisotropicStandard_conditions
3D HNCACBLabelled_WW4isotropicStandard_conditions
3D HNCACBLabelled_NotchisotropicStandard_conditions
3D HN(CO)CALabelled_WW4isotropicStandard_conditions
3D HN(CO)CALabelled_NotchisotropicStandard_conditions
3D HCCH-TOCSYLabelled_WW4isotropicStandard_conditions
3D HCCH-TOCSYLabelled_NotchisotropicStandard_conditions
3D 1H-15N NOESYLabelled_WW4isotropicStandard_conditions
3D 1H-15N NOESYLabelled_NotchisotropicStandard_conditions
3D 1H-15N TOCSYLabelled_WW4isotropicStandard_conditions
3D 1H-15N TOCSYLabelled_NotchisotropicStandard_conditions
3D 1H-13C NOESYLabelled_WW4isotropicStandard_conditions
3D 1H-13C NOESYLabelled_NotchisotropicStandard_conditions
2D 1H-13C HSQCLabelled_WW4isotropicStandard_conditions
2D 1H-13C HSQCLabelled_NotchisotropicStandard_conditions

Software:

NMRPipe, F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax - data analysis

CARA, R Keller and K Wuthrich - chemical shift assignment

CYANA v2.1, P Guntert, C Mumenthaler and K Wuthrich - refinement, structure solution

NMRView, B Johnson, One Moon Scientific - peak picking

AMBER, DA Case, TA Darden, TE Cheatham, III, CL Simmerling, J Wang, RE Duke, - refinement

NMR spectrometers:

  • Bruker AMX 600 MHz

Related Database Links:

PDB
GB AAL39551

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks