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 6890

Title: Structural Determinants for High Affinity Binding in a Nedd4 WW3* Domain - Comm PY Motif Complex   PubMed: 16531238

Deposition date: 2005-11-09 Original release date: 2006-04-27

Authors: Kanelis, Voula; Bruce, M.; Skrynnikov, Nikolai; Rotin, Daniela; Forman-Kay, Julie

Citation: Kanelis, Voula; Bruce, M.; Skrynnikov, Nikolai; Rotin, D.; Forman-Kay, Julie. "Structural Determinants for High-Affinity Binding in a Nedd4 WW3* Domain-Comm PY Motif Complex"  Structure (Cambridge MA U.S.) 14, 543-553 (2006).

Assembly members:
dNedd4 WW3* domain, polymer, 46 residues, 5155.4 Da.
Comm LPSY Peptide, polymer, 11 residues, 1203.4 Da.

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

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
dNedd4 WW3* domain: GPLGSGEEEPLPPRWSMQVA PNGRTFFIDHASRRTTWIDP RNGRAS
Comm LPSY Peptide: TGLPSYDEALH

Data sets:
Data typeCount
13C chemical shifts151
15N chemical shifts46
1H chemical shifts307

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1dNedd4 WW3* domain1
2Comm LPSY peptide2

Entities:

Entity 1, dNedd4 WW3* domain 46 residues - 5155.4 Da.

1   GLYPROLEUGLYSERGLYGLUGLUGLUPRO
2   LEUPROPROARGTRPSERMETGLNVALALA
3   PROASNGLYARGTHRPHEPHEILEASPHIS
4   ALASERARGARGTHRTHRTRPILEASPPRO
5   ARGASNGLYARGALASER

Entity 2, Comm LPSY peptide 11 residues - 1203.4 Da.

1   THRGLYLEUPROSERTYRASPGLUALALEU
2   HIS

Samples:

sample_1: dNedd4 WW3* domain, [U-15N; U-13C], 1.1 mM; Comm LPSY Peptide 1.1 mM; Na phos 10 mM; NaCl 20 mM; D2O 10%

sample_2: dNedd4 WW3* domain, [U-15N; U-13C], 1.1 mM; Comm LPSY Peptide 1.1 mM; Na phos 10 mM; NaCl 20 mM; D2O 100%

sample_3: dNedd4 WW3* domain, [U-15N; U-13C], 1.0 mM; Comm LPSY Peptide 1.4 mM; Na phos 10 mM; NaCl 20 mM; D2O 10%

sample_4: dNedd4 WW3* domain, [U-15N; U-13C], 1.0 mM; Comm LPSY Peptide 1.4 mM; Na phos 10 mM; NaCl 20 mM; D2O 100%

conditions_1_and_conditions_3: pH: 7.0; temperature: 288 K

conditions_2_and_conditions_4: pH*: 7.0; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
15N-HSQCnot availablenot availablenot available
13C-HSQCnot availablenot availablenot available
HNCaCbnot availablenot availablenot available
(Hb)CbCa(CO)NNHnot availablenot availablenot available
CCC-TOCSY-NNHnot availablenot availablenot available
HCC-TOCSY-NNHnot availablenot availablenot available
HCCH-COSYnot availablenot availablenot available
HMBCnot availablenot availablenot available
(Hb)Cb(CgCd)Hdnot availablenot availablenot available
(Hb)Cb(CgCdCe)Henot availablenot availablenot available
13C F1-filtered, F3-edited NOESY-HSQC, 250 msnot availablenot availablenot available
13C/15N-edited NOESY-HSQC, 175 msnot availablenot availablenot available
13C/15N F1,F2-filtered NOESY, 140 msnot availablenot availablenot available
13C/15N F1,F2-filtered TOCSYnot availablenot availablenot available
13C/15N F1,F2-filtered COSYnot availablenot availablenot available

Software:

NMRPipe/NMRDraw v2.3 -

NMRView v5.2.2 -

NMRDraw -

NMR spectrometers:

  • Varian Inova 500 MHz

Related Database Links:

PDB
GB ABG02151 ACN62428 EDW39553 EDX10868
REF XP_002028338 XP_002085283

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