BMRB: 16694

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: 72.7 %, Completeness (bb): 76.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	72.7 % (1232 of 1695)	78.5 % (701 of 893)	63.5 % (416 of 655)	78.2 % (115 of 147)
Backbone	76.9 % (640 of 832)	92.9 % (261 of 281)	63.5 % (265 of 417)	85.1 % (114 of 134)
Sidechain	71.1 % (710 of 998)	71.9 % (440 of 612)	72.1 % (269 of 373)	7.7 % (1 of 13)
Aromatic	40.8 % (40 of 98)	46.9 % (23 of 49)	34.7 % (17 of 49)
Methyl	92.9 % (145 of 156)	98.7 % (77 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

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Type	Concentration
1	Polybromo Bromdomain2	[U-100% 15N]		0.5 mM
2	H3 Peptide	natural abundance		2.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

Sample #2

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

#	Name	Isotope labeling	Type	Concentration
5	Polybromo Bromdomain2	[U-100% 13C; U-100% 15N]		0.5 mM
6	H3 Peptide	natural abundance		2.5 mM
7	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

Sample #3

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

#	Name	Isotope labeling	Type	Concentration
9	Polybromo Bromdomain2	[U-100% 13C; U-100% 15N]		0.8 mM
10	H3 Peptide	natural abundance		8 mM
11	D2O	natural abundance		100 %

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LACS Plot; CA

Referencing offset: -0.09 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	water	protons	4.79 ppm	external	direct	1.0

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LACS Plot; CB

Referencing offset: -0.09 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	water	protons	4.79 ppm	external	direct	1.0

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LACS Plot; HA

Referencing offset: 0.06 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	water	protons	4.79 ppm	external	direct	1.0

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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 , Abstract

Related entities 1. H3 Peptide, : 90 : 2 : 30 : 22 entities Detail

Related entities 2. Polybromo Bromdomain2, : 1 : 8 : 157 entities Detail

Interaction partners 1. H3 Peptide, : 2 interactors Detail

Interaction partners 2. Polybromo Bromdomain2, : 22 interactors Detail

Experiments performed 5 experiments Detail