BMRB Entry 30577

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PDB ID: 6o2l
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30577
MolProbity Validation Chart

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Title:
NMR structure of the 2:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
Deposition date:
2019-02-24
Original release date:
2019-10-18
Authors:
Lin, C.; Liu, W.; Yang, D.
Citation:

Citation: Liu, Wenting; Lin, Clement; Wu, Guanhui; Dai, Jixun; Chang, Ta-Chau; Yang, Danzhou. "Structures of 1:1 and 2:1 complexes of BMVC and MYC promoter G-quadruplex reveal a mechanism of ligand conformation adjustment for G4-recognition"  Nucleic Acids Res. 47, 11931-11942 (2019).
PubMed: 31740959

Assembly members:

Assembly members:
entity_1, polymer, 22 residues, 7008.510 Da.
entity_BO6, non-polymer, 403.518 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: TGAGGGTGGGTAGGGTGGGT AA

Data sets:
Data typeCount
1H chemical shifts253

Additional metadata:

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  • Samples and Experiments
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_2, 12
3entity_2, 22

Entities:

Entity 1, entity_1 22 residues - 7008.510 Da.

1   DTDGDADGDGDGDTDGDGDG
2   DTDADGDGDGDTDGDGDGDT
3   DADA

Entity 2, entity_2, 1 - C28 H25 N3 - 403.518 Da.

1   BO6