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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25814
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Carotenuto, Alfonso; Merlino, Francesco; Chai, Minying; Brancaccio, Diego; Yousif, Ali Munaim; Novellino, Ettore; Hruby, Victor J; Grieco, Paolo. "Discovery of Novel Potent and Selective Agonists at the Melanocortin3 Receptor" J. Med. Chem. 58, 9773-9778 (2015).
PubMed: 26599352
Assembly members:
PG-990, polymer, 10 residues, 1233.497 Da.
Natural source: Common Name: enterobacteria Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: chemical synthesis Host organism: Escherichia coli
Entity Sequences (FASTA):
PG-990: XXDPPXRWKX
Data type | Count |
1H chemical shifts | 74 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | PG-990 | 1 |
Entity 1, PG-990 10 residues - 1233.497 Da.
1 | ACE | NLE | ASP | PRO | PRO | 4J2 | ARG | TRP | LYS | NH2 |
sample_1: PG-990 2 mM; DPC, [U-2H], 200 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 10 mM; pH: 5.5; pressure: 1 atm; temperature: 298.0 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
XEASY, Bartels et al. - chemical shift assignment