Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21027
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Citation: Shoshan, Michal; Shalev, Deborah; Tshuva, Edit. "Peptide Models of Cu(I) and Zn(II) Metallochaperones: The Effect of pH on Coordination and Mechanistic Implications." Inorg. Chem. 52, 2993-3000 (2013).
PubMed: 23458158
Assembly members:
MDCSGCSRPG+Zn-basic, polymer, 10 residues, Formula weight is not available
20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II), non-polymer, 642.051 Da.
HYDROXIDE ION, non-polymer, 17.007 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: recombinant technology
Entity Sequences (FASTA):
MDCSGCSRPG+Zn-basic: MDCSGCSRPG
Data type | Count |
1H chemical shifts | 47 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | MDCSGCSRPG | 1 |
2 | Zn(II) | 2 |
3 | OH | 3 |
Entity 1, MDCSGCSRPG 10 residues - Formula weight is not available
1 | MET | ASP | CYS | SER | GLY | CYS | SER | ARG | PRO | GLY |
Entity 2, Zn(II) - C34 H32 N4 O5 Zn - 642.051 Da.
1 | ZEM |
Entity 3, OH - H O - 17.007 Da.
1 | OH |
sample_1: MDCSGCSRPG 4.0 mM; ZnCl2 4.0 mM; DMSO, [U-2H], 90%; H2O 10%
sample_conditions_1: pH*: 8.5; temperature: 298 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
TOPSPIN v1.3, Bruker Biospin, Chimera UCSF, Goddard, Koradi, Billeter and Wuthrich, Schwieters, Kuszewski, Tjandra and Clore - chemical shift assignment, collection, data analysis, peak picking, processing, refinement, structure solution