BMRB Entry 25845

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25845
MolProbity Validation Chart

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Title:
CYSTEIN KNOT WITH 2FP INTEGRIN AVB6 CANCER RECOGNITION SITE
Deposition date:
2015-10-10
Original release date:
2016-10-27
Authors:
Filipp, Fabian; Tikole, Suhas
Citation:

Citation: Filipp, Fabian; Tikole, Suhas. "Cystein knot with 2-FP label and integrin AvB6 cancer recognition site"  .

Assembly members:

Assembly members:
entity, polymer, 37 residues, 4059.712 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: XGCILNGRTDLGTLLFRCRR DSDCPGACICRGNGYCG

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 37 residues - 4059.712 Da.

1   4LTGLYCYSILELEUASNGLYARGTHRASP
2   LEUGLYTHRLEULEUPHEARGCYSARGARG
3   ASPSERASPCYSPROGLYALACYSILECYS
4   ARGGLYASNGLYTYRCYSGLY

Samples:

KNOT_2FP: KNOT_2FP 2 mM; potassium phosphate 20 mM

KNOT_2FP_D2O: KNOT_2FP 2 mM; potassium phosphate 20 mM; D2O, [U-2H], 5.5 M

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYKNOT_2FPisotropicKNOT
2D 1H-1H TOCSYKNOT_2FPisotropicKNOT
2D 1H-1H NOESYKNOT_2FP_D2OisotropicKNOT
2D 1H-1H TOCSYKNOT_2FP_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

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