BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 26525

Title: Structure, Dynamics, and Kinetics of Weak Protein Protein Complexes from NMR Spin Relaxation Measurements of Titrated Solutions   PubMed: 21425222

Authors: Salmon, Loic; Ortega Roldan, Jose-Luis; Lescop, Ewen; Licinio, Antoine; van Nuland, Nico; Jensen, Malene; Blackledge, Martin

Citation: Salmon, Loic; Ortega Roldan, Jose-Luis; Lescop, Ewen; Licinio, Antoine; van Nuland, Nico; Jensen, Malene; Blackledge, Martin. "Structure, dynamics, and kinetics of weak protein-protein complexes from NMR spin relaxation measurements of titrated solutions."  Angew. Chem. Int. Ed. Engl. 50, 3755-3759 (2011).

Assembly members:
SH3_domain, polymer, 65 residues, Formula weight is not available
Ubiquitin, polymer, 82 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):
SH3_domain: GKIKAKEYCRTLFAYEGTNN DELTFKEGEIIHLISKETGE AGWWRGELNGKEGVFPDNFA VQINE
Ubiquitin: HHHHHHMQIFVKTLTGKTIT LEVEPSDTIENVKAKIQDKE GIPPDQQRLIFAGKQLEDGR TLSDYNIQKESTLHLVLRLR GG

Data typeCount
T1 relaxation values456
T2 relaxation values456

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CD2AP SH3 Domain1
2Ubiquitin2

Entities:

Entity 1, CD2AP SH3 Domain 65 residues - Formula weight is not available

1   GLYLYSILELYSALALYSGLUTYRCYSARG
2   THRLEUPHEALATYRGLUGLYTHRASNASN
3   ASPGLULEUTHRPHELYSGLUGLYGLUILE
4   ILEHISLEUILESERLYSGLUTHRGLYGLU
5   ALAGLYTRPTRPARGGLYGLULEUASNGLY
6   LYSGLUGLYVALPHEPROASPASNPHEALA
7   VALGLNILEASNGLU

Entity 2, Ubiquitin 82 residues - Formula weight is not available

Ubiquitin contains a His-tag (6 successive Histidines)

1   HISHISHISHISHISHISMETGLNILEPHE
2   VALLYSTHRLEUTHRGLYLYSTHRILETHR
3   LEUGLUVALGLUPROSERASPTHRILEGLU
4   ASNVALLYSALALYSILEGLNASPLYSGLU
5   GLYILEPROPROASPGLNGLNARGLEUILE
6   PHEALAGLYLYSGLNLEUGLUASPGLYARG
7   THRLEUSERASPTYRASNILEGLNLYSGLU
8   SERTHRLEUHISLEUVALLEUARGLEUARG
9   GLYGLY

Samples:

sample_SH3_free: SH3_domain, [U-100% 15N], 0.250 mM; sodium phosphate 50 mM; DTT 1 mM; D2O 8%; H2O 92%

sample_Ubiquitin_free: Ubiquitin, [U-100% 15N], 0.250 mM; sodium phosphate 50 mM; DTT 1 mM; D2O 8%; H2O 92%

sample_mixture_p1: Ubiquitin Free, [U-100% 15N], 0.173 mM; SH3 Free, [U-100% 15N], 0.554 mM; sodium phosphate 50 mM; DTT 1 mM; D2O 8%; H2O 92%

sample_mixture_p2: Ubiquitin Free, [U-100% 15N], 0.231 mM; SH3 Free, [U-100% 15N], 0.345 mM; sodium phosphate 50 mM; DTT 1 mM; D2O 8%; H2O 92%

sample_mixture_p3: Ubiquitin Free, [U-100% 15N], 0.387 mM; SH3 Free, [U-100% 15N], 0.185 mM; sodium phosphate 50 mM; DTT 1 mM; D2O 8%; H2O 92%

sample_conditions_1: temperature: 308 K; pH: 6.0; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQC 1sample_SH3_freeisotropicsample_conditions_1
1H-15N HSQC 2sample_Ubiquitin_freeisotropicsample_conditions_1
1H-15N HSQC 3sample_mixture_p1isotropicsample_conditions_1
1H-15N HSQC 4sample_mixture_p2isotropicsample_conditions_1
1H-15N HSQC 5sample_mixture_p3isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - data analysis

NMR spectrometers:

  • Varian NMR Direct-Drive Systems 600 MHz

Related Database Links:

GB EGW10641