BMRB Entry 4361

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4361

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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:

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:

Assembly members:
chromomycin-DNA complex, polymer, 8 residues, Formula weight is not available
chromomycin, polymer, 6 residues, Formula weight is not available
CO, non-polymer, 58.933 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: not available not available

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
chromomycin-DNA complex: TTGGCCAA
chromomycin: XXXXXX

Data sets:
Data typeCount
13C chemical shifts80
1H chemical shifts152
31P chemical shifts7

Additional metadata:

  • Assembly
  • Samples and Experiments
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  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1chr-DNA 11
2chr-DNA 21
3chromomycin 12
4chromomycin 22
5Co 13
6Co 23

Entities:

Entity 1, chr-DNA 1 8 residues - Formula weight is not available

1   DTDTDGDGDCDCDADA

Entity 2, chromomycin 1 6 residues - Formula weight is not available

1   1GL2GLDXB1ARDDADDA

Entity 3, Co 1 - Co - 58.933 Da.

1   CO