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Solution NMR structure of human Brd3 ET complexed with NSD3(148-184) peptide
Authors
Aiyer, S., Swapna, G.V.T., Roth, M.J., Montelione, G.T.
Assembly
Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3 (E.C.2.1.1.-)
Entity
1. Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3 (E.C.2.1.1.-), entity 1 (polymer), 96 monomers, 11242.36 Da Detail

HHHHHHSHMG KQASASYDSE EEEEGLPMSY DEKRQLSLDI NRLPGEKLGR VVHIIQSREP SLRDSNPDEI EIDFETLKPT TLRELERYVK SCLQKK


2. Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3 (E.C.2.1.1.-), entity 2 (polymer), 39 monomers, 4325.802 Da Detail

EFTGSPEIKL KITKTIQNGR ELFESSLCGD LLNEVQASE


Total weight
15568.162 Da
Max. entity weight
11242.36 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts, spectral_peak_list
Chem. Shift Complete
Sequence coverage: 94.8 %, Completeness: 77.9 %, Completeness (bb): 76.7 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All77.9 % (1245 of 1598)83.7 % (703 of 840)67.9 % (415 of 611)86.4 % (127 of 147)
Backbone76.7 % (612 of 798)90.4 % (245 of 271)63.1 % (251 of 398)89.9 % (116 of 129)
Sidechain81.0 % (752 of 928)80.5 % (458 of 569)83.0 % (283 of 341)61.1 % (11 of 18)
Aromatic51.2 % (44 of 86)51.2 % (22 of 43)51.2 % (22 of 43)
Methyl99.2 % (125 of 126)98.4 % (62 of 63)100.0 % (63 of 63)

1. entity 1

HHHHHHSHMG KQASASYDSE EEEEGLPMSY DEKRQLSLDI NRLPGEKLGR VVHIIQSREP SLRDSNPDEI EIDFETLKPT TLRELERYVK SCLQKK

2. entity 2

EFTGSPEIKL KITKTIQNGR ELFESSLCGD LLNEVQASE

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] NSD3(148-184), 100 mM sodium chloride, 20 mM sodium phosphate, 2 mM 2-mercaptoethanol, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
1NSD3(148-184)[U-100% 13C; U-100% 15N]0.5 (±0.02) mM
2sodium chloridenatural abundance100 mM
3sodium phosphatenatural abundance20 mM
42-mercaptoethanolnatural abundance2 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 0.25 mM NSD3(148-184), 0.25 mM U-100% 13C; U-100% 15 Brd3ET, 100 mM sodium chloride, 20 mM sodium phosphate, 2 mM 2-mercaptoethanol, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
5NSD3(148-184)natural abundance0.25 (±0.02) mM
6sodium chloridenatural abundance100 (±0.02) mM
7sodium phosphatenatural abundance20 (±0.02) mM
82-mercaptoethanolnatural abundance2 (±0.02) mM
9Brd3ETU-100% 13C; U-100% 150.25 (±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 0.25 mM [U-100% 13C; U-100% 15N] NSD3(148-184), 0.2 mM [U-100% 13C; U-100% 15N] Brd3ET, 100 mM sodium chloride, 20 mM sodium phosphate, 2 mM 2-mercaptoethanol, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
10NSD3(148-184)[U-100% 13C; U-100% 15N]0.25 (±0.02) mM
11sodium chloridenatural abundance100 (±0.02) mM
12sodium phosphatenatural abundance20 (±0.02) mM
132-mercaptoethanolnatural abundance2 (±0.02) mM
14Brd3ET[U-100% 13C; U-100% 15N]0.2 (±0.02) mM

Release date
2020-10-15
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 ,
Entries sharing articles BMRB: 4 entries Detail
  BMRB: 30791 released on 2020-11-01
    Title Solution NMR structure and dynamics of human Brd3 ET in complex with MLV IN CTD
  BMRB: 30786 released on 2020-09-25
    Title Solution NMR structure of human Brd3 ET domain with MLV IN C-terminal Tail Peptide (TP) complex
  BMRB: 30782 released on 2020-08-18
    Title A common binding motif in the ET domain of BRD3 participates in polymorphic structural interfaces with host and viral proteins
  BMRB: 30444 released on 2018-04-10
    Title Solution structure of the Extraterminal (ET) Domain of BRD2
Related entities 1. Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3 (E.C.2.1.1.-), entity 1, : 1 : 3 : 7 : 42 entities Detail
Related entities 2. Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3 (E.C.2.1.1.-), entity 2, : 1 : 5 : 8 entities Detail
Interaction partners 1. Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3 (E.C.2.1.1.-), entity 1, : 6 interactors Detail
Interaction partners 2. Bromodomain-containing protein 3, Histone-lysine N-methyltransferase NSD3 (E.C.2.1.1.-), entity 2, : 36 interactors Detail
Experiments performed 32 experiments Detail
Chemical shift validation 4 contents Detail
Keywords Brd3 ET, Integrase, NSD3 solution NMR, SIGNALING PROTEIN, extra terminal domain