BMRB Entry 34407

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34407
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Solution structure of the fourth WW domain of WWP2 with GB1-tag
Deposition date:
2019-05-22
Original release date:
2019-10-22
Authors:
Wahl, L.; Watt, J.; Tolchard, J.; Blumenschein, T.; Chantry, A.
Citation:

Citation: Wahl, L.; Watt, J.; Yim, H.; De Bourcier, D.; Tolchard, J.; Soond, S.; Blumenschein, T.; Chantry, A.. "Smad7 Binds Differently to Individual and Tandem WW3 and WW4 Domains of WWP2 Ubiquitin Ligase Isoforms."  Int. J. Mol. Sci. 20, .-. (2019).
PubMed: 31546607

Assembly members:

Assembly members:
entity_1, polymer, 109 residues, 11974.083 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)   Vector: pSKDuet01

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMQYKLILNGKTLKGETT TEAVDAATAEKVFKQYANDN GVDGEWTYDDATKTYTVTEG SGGAGGQGMIQEPALPPGWE MKYTSEGVRYFVDHNTRTTT FKDPRPGFE

Data typeCount
13C chemical shifts446
15N chemical shifts109
1H chemical shifts694

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 109 residues - 11974.083 Da.

1   GLYSERHISMETGLNTYRLYSLEUILELEU
2   ASNGLYLYSTHRLEULYSGLYGLUTHRTHR
3   THRGLUALAVALASPALAALATHRALAGLU
4   LYSVALPHELYSGLNTYRALAASNASPASN
5   GLYVALASPGLYGLUTRPTHRTYRASPASP
6   ALATHRLYSTHRTYRTHRVALTHRGLUGLY
7   SERGLYGLYALAGLYGLYGLNGLYMETILE
8   GLNGLUPROALALEUPROPROGLYTRPGLU
9   METLYSTYRTHRSERGLUGLYVALARGTYR
10   PHEVALASPHISASNTHRARGTHRTHRTHR
11   PHELYSASPPROARGPROGLYPHEGLU

Samples:

sample_1: WWP2 WW4 domain, [U-99% 13C; U-99% 15N], 1.2 mM; Na2HPO4 20 mM; NaCl 50 mM

sample_2: WWP2 WW4 domain, [U-99% 13C; U-99% 15N], 2.08 mM; Na2HPO4 20 mM; NaCl 50 mM

sample_conditions_1: ionic strength: 110 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESY aromaticsample_2isotropicsample_conditions_1
2D HbCbCgCdHdsample_2isotropicsample_conditions_1
3D CCH-TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C TOCSY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

TopSpin, Bruker Biospin - collection

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

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE III 800 MHz
  • Bruker AVANCE 500 MHz

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