BMRB Entry 6507

Title:
Complex structure of PCAF bromodomain with small chemical ligand NP2
Deposition date:
2005-02-17
Original release date:
2005-08-19
Authors:
Zeng, L.; Li, J.; Muller, M.; Yan, S.; Mujtaba, S.; Pan, C.; Wang, Z.; Zhou, M.
Citation:

Citation: Zeng, L.; Li, J.; Muller, M.; Yan, S.; Mujtaba, S.; Pan, C.; Wang, Z.; Zhou, M.. "Selective small molecules blocking HIV-1 Tat and coactivator PCAF association."  J. Am. Chem. Soc. 127, 2376-2377 (2005).
PubMed: 15724976

Assembly members:

Assembly members:
Histone acetylatransferase PCAF (E.C.2.3.1.48), polymer, 118 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.
NPP, non-polymer, 395.433 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

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts404
15N chemical shifts107
1H chemical shifts757

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Histone acetylatransferase1
2CALCIUM (II) ION2
3NPP3

Entities:

Entity 1, Histone acetylatransferase 118 residues - Formula weight is not available

1   GLYSERHISMETSERLYSGLUPROARGASP
2   PROASPGLNLEUTYRSERTHRLEULYSSER
3   ILELEUGLNGLNVALLYSSERHISGLNSER
4   ALATRPPROPHEMETGLUPROVALLYSARG
5   THRGLUALAPROGLYTYRTYRGLUVALILE
6   ARGPHEPROMETASPLEULYSTHRMETSER
7   GLUARGLEULYSASNARGTYRTYRVALSER
8   LYSLYSLEUPHEMETALAASPLEUGLNARG
9   VALPHETHRASNCYSLYSGLUTYRASNPRO
10   PROGLUSERGLUTYRTYRLYSCYSALAASN
11   ILELEUGLULYSPHEPHEPHESERLYSILE
12   LYSGLUALAGLYLEUILEASPLYS

Entity 2, CALCIUM (II) ION - Ca - 40.078 Da.

1   CA

Entity 3, NPP - C17 H27 N6 O5 - 395.433 Da.

1   NPP

Samples:

sample_1: Histone acetylatransferase PCAF (E.C.2.3.1.48) 0.5 mM; phosphate buffer 100 mM; DTT 5 mM; D2O 10%

sample_cond_1: pH: 6.5; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
3D 15N-separated NOESYsample_1not availablesample_cond_1
3D 13C-separated NOESYsample_1not availablesample_cond_1
3D 13C SEPARATED FILTERED NOESYsample_1not availablesample_cond_1
2D TOCSYsample_1not availablesample_cond_1

Software:

X-PLOR v3.851 - refinement

ARIA v2.0 - refinement

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

BMRB 4312 6508
PDB
DBJ BAI45566
GB AAH60823 AAH70075 EAW64305 EHH16790 EHH51702
REF NP_003875 XP_001086807 XP_002814059 XP_003257301 XP_003480051
SP Q92831
AlphaFold Q92831 Q92831

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