BMRB Entry 6508

Title:
complex structure of PCAF bromodomain with small chemical ligand NP1
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(8), 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
CALCIUM (II) ION, non-polymer, Formula weight is not available
NP1, non-polymer, 209.245 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts408
15N chemical shifts107
1H chemical shifts765

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Histone acetylatransferase1
2CALCIUM (II) ION2
3NP13

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 1 residues - CA1 - Formula weight is not available

1   CA_2+

Entity 3, NP1 - C10 H15 N3 O2 - 209.245 Da.

1   NP1

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 NOESYnot availablenot availablenot available
3D 13C-separated NOESYnot availablenot availablenot available
3D 13C SEPARATED FILTERED NOESYnot availablenot availablenot available

Software:

X-PLOR v3.851 - refinement

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

BMRB 4312 6507
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