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BMRB: 30786

7JQ8

Solution NMR structure of human Brd3 ET domain with MLV IN C-terminal Tail Peptide (TP) complex

Authors

Aiyer, S., Swapna, G.V.T., Roth, M.J., Montelione, G.T.

Assembly

Bromodomain-containing protein 3, Integrase peptide (E.C.2.7.7.-,3.1.-.-)

Entity

1. Bromodomain-containing protein 3, Integrase peptide (E.C.2.7.7.-,3.1.-.-), entity 1 (polymer), 96 monomers, 11242.36 Da Detail

HHHHHHSHMG KQASASYDSE EEEEGLPMSY DEKRQLSLDI NRLPGEKLGR VVHIIQSREP SLRDSNPDEI EIDFETLKPT TLRELERYVK SCLQKK

2. Bromodomain-containing protein 3, Integrase peptide (E.C.2.7.7.-,3.1.-.-), entity 2 (polymer, Thiol state: not present), 23 monomers, 2806.231 Da Detail

SRLTWRVQRS QNPLKIRLTR EAP

Total weight

14048.592 Da

Max. entity weight

11242.36 Da

Source organism

Homo sapiens , Moloney murine leukemia virus isolate Shinnick

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 93.3 %, Completeness: 78.4 %, Completeness (bb): 76.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.4 % (1132 of 1443)	84.6 % (645 of 762)	68.4 % (374 of 547)	84.3 % (113 of 134)
Backbone	76.7 % (537 of 700)	91.1 % (214 of 235)	62.6 % (221 of 353)	91.1 % (102 of 112)
Sidechain	81.5 % (699 of 858)	81.8 % (431 of 527)	83.2 % (257 of 309)	50.0 % (11 of 22)
Aromatic	66.7 % (52 of 78)	66.7 % (26 of 39)	65.8 % (25 of 38)	100.0 % (1 of 1)
Methyl	96.3 % (104 of 108)	94.4 % (51 of 54)	98.1 % (53 of 54)

1. entity 1

HHHHHHSHMG KQASASYDSE EEEEGLPMSY DEKRQLSLDI NRLPGEKLGR VVHIIQSREP SLRDSNPDEI EIDFETLKPT TLRELERYVK SCLQKK

2. entity 2

SRLTWRVQRS QNPLKIRLTR EAP

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.05) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 0.5 mM [U-100% 13C; U-100% 15N] MLV IN TP, 100 mM sodium chloride, 20 mM sodium phosphate, 2 mM 2-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	MLV IN TP	[U-100% 13C; U-100% 15N]	0.5 (±0.02) mM
2	sodium chloride	natural abundance	100 (±0.02) mM
3	sodium phosphate	natural abundance	20 (±0.02) mM
4	2-mercaptoethanol	natural abundance	2 (±0.02) mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.05) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 0.5 mM [U-100% 13C; U-100% 15N] Brd3 ET, 100 mM sodium chloride, 20 mM sodium phosphate, 2 mM 2-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
5	sodium chloride	natural abundance	100 (±0.02) mM
6	sodium phosphate	natural abundance	20 (±0.02) mM
7	2-mercaptoethanol	natural abundance	2 (±0.02) mM
8	Brd3 ET	[U-100% 13C; U-100% 15N]	0.5 (±0.02) mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.05) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05), Details 0.5 mM Brd3 ET, 100 mM sodium chloride, 20 mM sodium phosphate, 2 mM 2-mercaptoethanol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
9	sodium chloride	natural abundance	100 (±0.02) mM
10	sodium phosphate	natural abundance	20 (±0.02) mM
11	2-mercaptoethanol	natural abundance	2 (±0.02) mM
12	Brd3 ET	natural abundance	0.5 (±0.02) mM

Sample #4

#	Name	Isotope labeling	Concentration
13	sodium chloride	natural abundance	100 (±0.02) mM
14	sodium phosphate	natural abundance	20 (±0.02) mM
15	2-mercaptoethanol	natural abundance	2 (±0.02) mM
16	Brd3 ET	natural abundance	0.5 (±0.02) mM

Release date

2020-09-25

Citation

A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins
Aiyer, S., Swapna, G.V.T., Ma, L., Liu, G., Hao, J., Chalmers, G., Jacobs, B.C., Montelione, G.T., Roth, M.
Structure (2021), 29, 886-898, PubMed 33592170 , DOI 10.1016/j.str.2021.01.010 , Abstract

Related entities 1. Bromodomain-containing protein 3, Integrase peptide (E.C.2.7.7.-,3.1.-.-), entity 1, : 1 : 3 : 7 : 42 entities Detail

Related entities 2. Bromodomain-containing protein 3, Integrase peptide (E.C.2.7.7.-,3.1.-.-), entity 2, : 1 : 3 : 15 entities Detail

Interaction partners 1. Bromodomain-containing protein 3, Integrase peptide (E.C.2.7.7.-,3.1.-.-), entity 1, : 6 interactors Detail

More details for 6 interactors identified by 1 citations