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Solution Structure of the Second Bromodomain of Human Polybromo in complex with an acetylated peptide from Histone 3
Authors
Charlop-Powers, Z., Zhang, Q., Zeng, L.
Assembly
Human Polybromo/Histone 3 complex
Entity
1. H3 Peptide (polymer, Thiol state: not present), 20 monomers, 2183.515 Da Detail

ARTKQTARKS TGGKAPRKQL


2. Polybromo Bromdomain2 (polymer, Thiol state: not present), 121 monomers, 13657.56 Da Detail

STEGSSPAYL KEILEQLLEA IVVATNPSGR LISELFQKLP SKVQYPDYYA IIKEPIDLKT IAQRIQNGSY KSIHAMAKDI DLLAKNAKTY NEPGSQVFKD ANSIKKIFYM KKAEIEHHEM A


Total weight
15841.074 Da
Max. entity weight
13657.56 Da
Source organism
Homo sapiens
Exptl. method
SOLUTION NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 70.9 %, Completeness (bb): 74.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All70.9 % (1206 of 1700)77.9 % (696 of 893)60.6 % (397 of 655)74.3 % (113 of 152)
Backbone74.8 % (618 of 826)91.3 % (251 of 275)60.9 % (254 of 417)84.3 % (113 of 134)
Sidechain69.9 % (705 of 1009)72.0 % (445 of 618)69.7 % (260 of 373) 0.0 % (0 of 18)
Aromatic40.8 % (40 of 98)46.9 % (23 of 49)34.7 % (17 of 49)
Methyl92.3 % (144 of 156)97.4 % (76 of 78)87.2 % (68 of 78)

1. H3 Peptide

ARTKQTARKS TGGKAPRKQL

2. Polybromo Bromdomain2

STEGSSPAYL KEILEQLLEA IVVATNPSGR LISELFQKLP SKVQYPDYYA IIKEPIDLKT IAQRIQNGSY KSIHAMAKDI DLLAKNAKTY NEPGSQVFKD ANSIKKIFYM KKAEIEHHEM A

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5


#NameIsotope labelingTypeConcentration
1Polybromo Bromdomain2[U-100% 15N]0.5 mM
2H3 Peptidenatural abundance2.5 mM
3H2Onatural abundance90 %
4D2Onatural abundance10 %
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5


#NameIsotope labelingTypeConcentration
5Polybromo Bromdomain2[U-100% 13C; U-100% 15N]0.5 mM
6H3 Peptidenatural abundance2.5 mM
7H2Onatural abundance90 %
8D2Onatural abundance10 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5


#NameIsotope labelingTypeConcentration
9Polybromo Bromdomain2[U-100% 13C; U-100% 15N]0.8 mM
10H3 Peptidenatural abundance8 mM
11D2Onatural abundance100 %

LACS Plot; CA
Referencing offset: -0.09 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.09 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.06 ppm, Outliers: 2 Detail
Release date
2010-05-04
Citation
Structural insights into selective histone H3 recognition by the human Polybromo bromodomain 2
Charlop-Powers, Z., Zeng, L., Zhang, Q., Zhou, M.
Cell Res. (2010), 20, 529-538, PubMed 20368734 , DOI 10.1038/cr.2010.43 ,
Related entities 1. H3 Peptide, : 146 : 2 : 15 : 11 entities Detail
Related entities 2. Polybromo Bromdomain2, : 1 : 3 : 62 entities Detail
Interaction partners 1. H3 Peptide, : 2 interactors Detail
Interaction partners 2. Polybromo Bromdomain2, : 17 interactors Detail
Experiments performed 5 experiments Detail
Keywords bromodomain