BMRB Entry 36163

Click here to enlarge.

PDB ID: 5z9c
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR36163
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Solution NMR structures of BRD4 first bromodomain with small compound MMQO
Deposition date:
2018-02-02
Original release date:
2018-03-02
Authors:
Zeng, L.; Zhou, M.
Citation:

Citation: Abner, E.; Stoszko, E.; Zeng, L.; Chen, H.; Izquierdo-Bouldstridge, A.; Konuma, T.; Zorita, E.; Fanunza, E.; Zhang, Q.; Mahmoudi, T.; Zhou, M.; Filion, G.; Jordon, A.. "A new quinoline BRD4 inhibitor targets a distinct latent HIV-1 reservoir for re-activation from other 'shock' drugs"  J. Virol. 92, e02056-17-e02056-17 (2018).
PubMed: 29343578

Assembly members:

Assembly members:
Bromodomain-containing protein 4, polymer, 116 residues, 13947.143 Da.
8-methoxy-6-methylquinolin-4(1H)-one, non-polymer, 189.211 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: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Bromodomain-containing protein 4: PNKPKRQTNQLQYLLRVVLK TLWKHQFAWPFQQPVDAVKL NLPDYYKIIKTPMDMGTIKK RLENNYYWNAQECIQDFNTM FTNCYIYNKPGDDIVLMAEA LEKLFLQKINELPTEE

Data sets:
Data typeCount
13C chemical shifts449
15N chemical shifts124
1H chemical shifts864

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_MQO2

Entities:

Entity 1, entity_1 116 residues - 13947.143 Da.

1   PROASNLYSPROLYSARGGLNTHRASNGLN
2   LEUGLNTYRLEULEUARGVALVALLEULYS
3   THRLEUTRPLYSHISGLNPHEALATRPPRO
4   PHEGLNGLNPROVALASPALAVALLYSLEU
5   ASNLEUPROASPTYRTYRLYSILEILELYS
6   THRPROMETASPMETGLYTHRILELYSLYS
7   ARGLEUGLUASNASNTYRTYRTRPASNALA
8   GLNGLUCYSILEGLNASPPHEASNTHRMET
9   PHETHRASNCYSTYRILETYRASNLYSPRO
10   GLYASPASPILEVALLEUMETALAGLUALA
11   LEUGLULYSLEUPHELEUGLNLYSILEASN
12   GLULEUPROTHRGLUGLU

Entity 2, entity_MQO - C11 H11 N O2 - 189.211 Da.

1   MQO

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks