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 6777

Title: Beta PIX-SH3 complexed with an atypical peptide from alpha-PAK   PubMed: 16101281

Authors: Mott, H.; Nietlispach, D.; Evetts, K.; Owen, D.

Citation: Mott, H.; Nietlispach, D.; Evetts, K.; Owen, D.. "Structural Analysis of the SH3 Domain of beta-PIX and Its Interaction with alpha-p21 Activated Kinase (PAK)"  Biochemistry 44, 10977-10983 (2005).

Assembly members:
beta-PIX, polymer, 65 residues, Formula weight is not available
alpha-p21 activated kinase, polymer, 22 residues, Formula weight is not available

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

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
beta-PIX: MTDNSNNQLVVRAKFNFQQT NEDELSFSKGDVIHVTRVEE GGWWEGTLNGRTGWFPSNYV REVKA
alpha-p21 activated kinase: DATPPPVIAPRPEHTKSVYT RS

Data sets:
Data typeCount
1H chemical shifts539
13C chemical shifts213
15N chemical shifts76

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1beta PIX-SH31
2alpha-PAK2

Entities:

Entity 1, beta PIX-SH3 65 residues - Formula weight is not available

1   METTHRASPASNSERASNASNGLNLEUVAL
2   VALARGALALYSPHEASNPHEGLNGLNTHR
3   ASNGLUASPGLULEUSERPHESERLYSGLY
4   ASPVALILEHISVALTHRARGVALGLUGLU
5   GLYGLYTRPTRPGLUGLYTHRLEUASNGLY
6   ARGTHRGLYTRPPHEPROSERASNTYRVAL
7   ARGGLUVALLYSALA

Entity 2, alpha-PAK 22 residues - Formula weight is not available

1   ASPALATHRPROPROPROVALILEALAPRO
2   ARGPROGLUHISTHRLYSSERVALTYRTHR
3   ARGSER

Samples:

sample_1: beta-PIX, [U-15N], 1 mM; alpha-p21 activated kinase 1.2 mM; Na2HPO4/NaH2PO4 20 mM; Na2SO4 100 mM; NaN3 0.05%; H2O 90%; D2O 10%

sample_2: beta-PIX, [U-13C; U-15N], 1 mM; alpha-p21 activated kinase 1.2 mM; Na2HPO4/NaH2PO4 20 mM; Na2SO4 100 mM; NaN3 0.05%; H2O 90%; D2O 10%

sample_cond_1: pH: 7.3; temperature: 298 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
3D 15N-separated NOESYnot availablenot availablenot available
3D 13C-separated NOESYnot availablenot availablenot available
13C,15N-filtered 13C-separated NOESYnot availablenot availablenot available

Software:

XWINNMR v2.6 - collection

AZARA v2.7 - processing

ANSIG v3.3 - data analysis

Aria v1.2 - structure solution

CNS v1.1 - structure solution, refinement

NMR spectrometers:

  • Bruker DRX 800 MHz

Related Database Links:

PDB
DBJ BAF85787 BAG51489 BAH12236 BAG51489 BAF85787
GB AAA65441 AAB61533 AAB95646 AAC24716 AAC32375
PRF 2003404A 2003404A
REF NP_001122092 NP_002567 NP_035165 NP_058894 XP_001090310 XP_001089263 NP_058894 NP_035165 NP_002567 NP_001122092
SP O88643 P35465 Q13153
SWISS-PROT Q13153 P35465 O88643
GenBank AAC32375 AAC24716 AAB95646 AAB61533 AAA65441