BMRB: 6425

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

Authors

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

Assembly

sst1-selective somatostatin (analog 1)

Entity

1. sst1-selective somatostatin (analog 1) (polymer, Thiol state: all disulfide bound), 12 monomers, 1688.019 Da Detail

YCKFEXXTFX SC

Formula weight

1688.019 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS12:SG

Exptl. method

NMR

Refine. method

Torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 75.0 %, Completeness: 72.4 %, Completeness (bb): 94.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	72.4 % (42 of 58)	72.4 % (42 of 58)
Backbone	94.4 % (17 of 18)	94.4 % (17 of 18)
Sidechain	62.5 % (25 of 40)	62.5 % (25 of 40)
Aromatic	42.9 % (6 of 14)	42.9 % (6 of 14)
Methyl	100.0 % (1 of 1)	100.0 % (1 of 1)

1. somatostatin

YCKFEXXTFX SC

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	somatostatin			2.5 mM
2	DMSO-d6			100 %

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Calculated from 10 models in PDB: 1XY8, Strand ID: A Detail

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Release date

2004-12-09

Citation

Somatostatin receptor 1 selective analogues: 4. Three-dimensional consensus structure by NMR
Grace, C.R.R., Durrer, D., Koerber, S.C., Erchegyi, J., Reubi, J.C., Rivier, J.E., Riek, R.
J. Med. Chem. (2005), 48, 523-533, PubMed 15658866 , DOI 10.1021/jm049518u , Abstract

Entries sharing articles BMRB: 5 entries Detail

Experiments performed 2 experiments Detail