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 25844

Title: CYSTEIN KNOT WITH INTEGRIN AVB6 CANCER RECOGNITION SITE

Deposition date: 2015-10-10 Original release date: 2016-10-27

Authors: Filipp, Fabian; Tikole, Suhas

Citation: Filipp, Fabian; Tikole, Suhas. "Cystein knot with 2-FP label and integrin AvB6 cancer recognition site"  Not known ., .-..

Assembly members:
entity, polymer, 36 residues, 3842.445 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity: GCILNGRTDLGTLLFRCRRD SDCPGACICRGNGYCG

Data sets:
Data typeCount
1H chemical shifts67

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 36 residues - 3842.445 Da.

1   GLYCYSILELEUASNGLYARGTHRASPLEU
2   GLYTHRLEULEUPHEARGCYSARGARGASP
3   SERASPCYSPROGLYALACYSILECYSARG
4   GLYASNGLYTYRCYSGLY

Samples:

KNOT_sample: KNOT 2 mM; potassium phosphate 20 mM; H2O 90%; D2O 10%

KNOT_D2O: KNOT 2 mM; potassium phosphate 20 mM; D2O, [U-2H], 100%

KNOT: ionic strength: 20 mM; pH: 6.0; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYKNOT_sampleisotropicKNOT
2D 1H-1H TOCSYKNOT_sampleisotropicKNOT
2D 1H-1H NOESYKNOT_D2OisotropicKNOT
2D 1H-1H TOCSYKNOT_D2OisotropicKNOT

Software:

NMRView v5.2.2, Johnson, One Moon Scientific - chemical shift assignment

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

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

TOPSPIN v3.2, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB