Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25099

Title: Dimeric structure of the Human A-box   PubMed: 26013031

Authors: Garavis, Miguel; Escaja, Nuria; Gabelica, Valerie; Villasante, Alfredo; Gonzalez, Carlos

Citation: Garavis, Miguel; Escaja, Nuria; Gabelica, Valerie; Villasante, Alfredo; Gonzalez, Carlos. "Centromeric Alpha-Satellite DNA Adopts Dimeric i-Motif Structures Capped by AT Hoogsteen Base Pairs"  Chemistry ., .-. (2015).

Assembly members:
DNA_(5'-D(P*TP*CP*CP*TP*TP*TP*TP*CP*CP*A)-3'), polymer, 10 residues, 2945.966 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: obtained from a vendor

Entity Sequences (FASTA):

Data sets:
Data typeCount
1H chemical shifts100

Additional metadata:

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Entity Assembly IDEntity NameEntity ID
1DNA (5'-D(P*TP*CP*CP*TP*TP*TP*TP*CP*CP*A)-3')_11
2DNA (5'-D(P*TP*CP*CP*TP*TP*TP*TP*CP*CP*A)-3')_21


Entity 1, DNA (5'-D(P*TP*CP*CP*TP*TP*TP*TP*CP*CP*A)-3')_1 10 residues - 2945.966 Da.



Hs2: sodium phosphate 25 mM; sodium chloride 100 mM; DNA_(5'-D(P*TP*CP*CP*TP*TP*TP*TP*CP*CP*A)-3') 2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 125 mM; pH: 4; pressure: 1 atm; temperature: 273 K


NameSampleSample stateSample conditions
2D 1H-1H NOESYHs2isotropicsample_conditions_1
2D 1H-1H TOCSYHs2isotropicsample_conditions_1
2D 1H-1H COSYHs2isotropicsample_conditions_1


AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

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