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 25808

Title: Unveiling the structural determinants of KIAA0323 binding preference for NEDD8

Deposition date: 2015-09-14 Original release date: 2016-09-08

Authors: Santonico, Elena; Nepravishta, Ridvan; Mattioni, Anna; Valentini, Eleonora; Mandaliti, Walter; Procopio, Radha; Iannuccelli, Marta; Castagnoli, Luisa; Polo, Simona; Paci, Maurizio; Cesareni, Gianni

Citation: Santonico, Elena; Nepravishta, Ridvan; Mattioni, Anna; Valentini, Eleonora; Mandaliti, Walter; Procopio, Radha; Iannuccelli, Marta; Castagnoli, Luisa; Polo, Simona; Paci, Maurizio; Cesareni, Gianni. "Unveiling the structural determinants of KIAA0323 binding preference for NEDD8"  Not known ., .-..

Assembly members:
entity_1, polymer, 76 residues, 8574.057 Da.
entity_2, polymer, 52 residues, 6299.246 Da.

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
entity_1: MLIKVKTLTGKEIEIDIEPT DKVERIKERVEEKEGIPPQQ QRLIYSGKQMNDEKTAADYK ILGGSVLHLVLALRGG
entity_2: GGIRKTRETERLRRQLLEVF WGQDHKVDFILQREPYCRDI NQLSEALLSLNF

Data sets:
Data typeCount
15N chemical shifts120
1H chemical shifts118

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 76 residues - 8574.057 Da.

1   METLEUILELYSVALLYSTHRLEUTHRGLY
2   LYSGLUILEGLUILEASPILEGLUPROTHR
3   ASPLYSVALGLUARGILELYSGLUARGVAL
4   GLUGLULYSGLUGLYILEPROPROGLNGLN
5   GLNARGLEUILETYRSERGLYLYSGLNMET
6   ASNASPGLULYSTHRALAALAASPTYRLYS
7   ILELEUGLYGLYSERVALLEUHISLEUVAL
8   LEUALALEUARGGLYGLY

Entity 2, entity_2 52 residues - 6299.246 Da.

1   GLYGLYILEARGLYSTHRARGGLUTHRGLU
2   ARGLEUARGARGGLNLEULEUGLUVALPHE
3   TRPGLYGLNASPHISLYSVALASPPHEILE
4   LEUGLNARGGLUPROTYRCYSARGASPILE
5   ASNGLNLEUSERGLUALALEULEUSERLEU
6   ASNPHE

Samples:

sample_1: entity_1, [U-100% 15N], 0.15 – 1.5 mM; entity_2, [U-100% 15N], 0.15 – 1.5 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 5.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1

Software:

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz

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