BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 4362

Title: Structure determination by restrained molecular dynamics using NMR pseudocontact shifts as experimentally determined constraints

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

Data sets:
Data typeCount
13C chemical shifts96
1H chemical shifts160
31P chemical shifts7

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

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

NameSampleSample stateSample conditions
NOESYsample_1not availablesample_cond_1
COSYsample_1not availablesample_cond_1
TOCSYsample_1not availablesample_cond_1

Software:

No software information available

NMR spectrometers:

  • GE Omega 500 MHz

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