BMRB Entry 30923

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PDB ID: 7n7d
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30923
MolProbity Validation Chart

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Title:
Solution structure of the MYC promoter G-quadruplex in complex with berberine: conformer A
Deposition date:
2021-06-10
Original release date:
2021-10-30
Authors:
Dickerhoff, J.; Yang, D.
Citation:

Citation: Dickerhoff, J.; Brundridge, N.; McLuckey, S.; Yang, D.. "Berberine Molecular Recognition of the Parallel MYC G-Quadruplex in Solution"  J. Med. Chem. 64, 16205-16212 (2021).
PubMed: 34677968

Assembly members:

Assembly members:
entity_1, polymer, 22 residues, 7033.523 Da.
entity_BER, non-polymer, 336.361 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: TGAGGGTGGGTAGGGTGGGG AA

Data sets:
Data typeCount
13C chemical shifts27
1H chemical shifts222

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_22
3unit_32

Entities:

Entity 1, unit_1 22 residues - 7033.523 Da.

1   DTDGDADGDGDGDTDGDGDG
2   DTDADGDGDGDTDGDGDGDG
3   DADA

Entity 2, unit_2 - C20 H18 N O4 - 336.361 Da.

1   BER