BMRB Entry 4746

Name: Average solution structure of d(TTGGCCAA)2 bound to Chromomycin-A3 and cobalt
Published: 2000-06-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4746

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Average solution structure of d(TTGGCCAA)2 bound to Chromomycin-A3 and cobalt

Deposition date:

2000-05-23

Original release date:

2000-06-29

Authors:

Gochin, M.

Citation:

Citation: Gochin, M.. "A high-resolution structure of a DNA-chromomycin-Co(II) complex determined from pseudocontact shifts in nuclear magnetic resonance" Structure Fold. Des. 8, 441-452 (2000).
PubMed: 10801486

Assembly members:

Assembly members:
DNA octamer, 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: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DNA octamer: TTGGCCAA
chromomycin: XXXXXX

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1
- chemical_shift_set_2

Data type	Count
1H chemical shifts	127
13C chemical shifts	80
31P chemical shifts	7

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	d(TTGGCCAA) DNA octamer 1	1
2	d(TTGGCCAA) DNA octamer 2	1
3	chromomycin-A3 1	2
4	chromomycin-A3 2	2
5	cobalt(II) 1	3
6	cobalt(II) 2	3

Entities:

Entity 1, d(TTGGCCAA) DNA octamer 1 8 residues - Formula weight is not available

1

DT

DG

DC

DA

Entity 2, chromomycin-A3 1 6 residues - Formula weight is not available

1

1GL

2GL

DXB

1AR

DDA

Entity 3, cobalt(II) 1 - Co - 58.933 Da.

1

CO

Samples:

sample_1: DNA octamer 2 mM; chromomycin 2 mM; COBALT (II) ION 2 mM; NaCl 100 mM; Na borate 10 mM

sample_cond_1: pH: 6; temperature: 298 K; ionic strength: 110 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	not available	sample_cond_1
13C-1H HMQC	sample_1	not available	sample_cond_1

Software:

NMRPipe v1.7 - processing

Sparky v3.0 - data analysis

X-PLOR v3.0, 3.851 - refinement

FELIX v2.1 - data analysis

NMR spectrometers:

GE Omega 500 MHz