BMRB Entry 4362
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4362
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Title: Structure determination by restrained molecular dynamics using NMR pseudocontact shifts as experimentally determined constraints
Deposition date: 1999-06-22 Original release date: 2000-12-04
Authors: Tu, K.; Gochin, M.
Citation: Tu, K.; Gochin, M.. "Structure determination by restrained molecular dynamics using NMR pseudocontact shifts as experimentally determined constraints" J. Am. Chem. Soc. 121, 9276-9285 (1999).
Assembly members:
chromomycin-DNA complex, polymer, 8 residues, Formula weight is not available
chromomycin, polymer, 6 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: Eukaryota Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
chromomycin-DNA complex: TTGGCCAA
chromomycin: XXXXXX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 96 |
| 1H chemical shifts | 160 |
| 31P chemical shifts | 7 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | chr-DNA 1 | 1 |
| 2 | chr-DNA 2 | 1 |
| 3 | chromomycin 1 | 2 |
| 4 | chromomycin 2 | 2 |
| 5 | Zn 1 | 3 |
| 6 | Zn 2 | 3 |
Entities:
Entity 1, chr-DNA 1 8 residues - Formula weight is not available
| 1 | DT | DT | DG | DG | DC | DC | DA | DA |
Entity 2, chromomycin 1 6 residues - Formula weight is not available
| 1 | 1GL | 2GL | DXB | 1AR | DDA | DDA |
Entity 3, Zn 1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: chromomycin-DNA complex 2.0 mM; chromomycin 2.0 mM
sample_cond_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | not available | sample_cond_1 |
| COSY | sample_1 | not available | sample_cond_1 |
| TOCSY | sample_1 | not available | sample_cond_1 |
Software:
No software information available
NMR spectrometers:
- GE Omega 500 MHz