BMRB Entry 6423

Name: NMR strcutre of sst1-selective somatostatin (SRIF) analog 1
Published: 2008-07-16

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PDB ID: 1xy5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6423
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR strcutre of sst1-selective somatostatin (SRIF) analog 1

Deposition date:

2004-12-10

Original release date:

2008-07-16

Authors:

Grace, C.; Durrer, D.; Koerber, S.; Erchegyi, J.; Reubi, J.; Rivier, J.; Riek, R.

Citation:

Citation: Grace, C.; Durrer, D.; Koerber, S.; Erchegyi, J.; Reubi, J.; Rivier, J.; Riek, R.. "Somatostatin receptor 1 selective analogues: 4. Three-dimensional consensus structure by NMR" J. Med. Chem. 48, 523-533 (2005).
PubMed: 15658866

Assembly members:

Assembly members:
somatostatin, polymer, 12 residues, Formula weight is not available

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):
somatostatin: YCKFXXXTFXSC

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	78

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SST1-selective somatostatin analog	1

Entities:

Entity 1, SST1-selective somatostatin analog 12 residues - Formula weight is not available

1

TYR

CYS

LYS

PHE

AA4

DTR

IAM

THR

PHE

193

2

SER

CYS

Samples:

sample_1: somatostatin 2.5 mM; DMSO-d6 100%

sample_cond_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
DQF-COSY	sample_1	not available	sample_cond_1
2D NOESY	sample_1	not available	sample_cond_1

Software:

DYANA v1.0.6 - refinement, structure solution

NMR spectrometers:

Bruker AVANCE 750 MHz