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Structures of REV1 UBM2 domain complex with ubiquitin and with the first small-molecule that inhibits the REV1 UBM2-ubiquitin interaction
Authors
Fujii, N., Vanarotti, M.
Assembly
DNA repair protein REV1 (E.C.2.7.7.-)
Entity
1. DNA repair protein REV1 (E.C.2.7.7.-) (polymer, Thiol state: not present), 72 monomers, 7800.528 Da Detail

MGSSHHHHHH HHLNGSSLVP RGSIKSSGLE SNSDAGINLI ALPAFSQVDP EVFAALPAEL QRELKAAYDQ RQ


Formula weight
7800.528 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 83.3 %, Completeness: 29.1 %, Completeness (bb): 49.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All29.1 % (232 of 798)27.8 % (115 of 413)19.4 % (60 of 310)76.0 % (57 of 75)
Backbone49.5 % (210 of 424)65.5 % (95 of 145)27.5 % (58 of 211)83.8 % (57 of 68)
Sidechain 5.0 % (22 of 441) 7.5 % (20 of 268) 1.2 % (2 of 166) 0.0 % (0 of 7)
Aromatic 0.0 % (0 of 60) 0.0 % (0 of 30) 0.0 % (0 of 30)
Methyl 6.9 % (5 of 72) 8.3 % (3 of 36) 5.6 % (2 of 36)

1. entity 1

MGSSHHHHHH HHLNGSSLVP RGSIKSSGLE SNSDAGINLI ALPAFSQVDP EVFAALPAEL QRELKAAYDQ RQ

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 mbar, Temperature 298 K, pH 7.0, Details 0.5 mM [U-13C; U-15N] REV1 UBM2, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
1REV1 UBM2[U-13C; U-15N]0.5 mM
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 mbar, Temperature 298 K, pH 7.0, Details 0.5 mM [U-99% 15N] REV1 UBM2, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
2REV1 UBM2[U-99% 15N]0.5 mM

Release date
2017-10-29
Citation
Structures of REV1 UBM2 Domain Complex with Ubiquitin and with a Small-Molecule that Inhibits the REV1 UBM2-Ubiquitin Interaction
Vanarotti, M., Grace, C.R., Miller, D.J., Actis, M.L., Inoue, A., Evison, B.J., Vaithiyalingam, S., Singh, A.P., McDonald, E.T., Fujii, N.
J. Mol. Biol. (2018), 430, 2857-2872, PubMed 29864443 , DOI 10.1016/j.jmb.2018.05.042 ,
Related entities 1. DNA repair protein REV1 (E.C.2.7.7.-), : 1 : 1 entities Detail
Experiments performed 6 experiments Detail
NMR combined restraints 3 contents Detail
Keywords STRUCTURAL PROTEIN, TRANSFERASE-TRANSFERASE INHIBITOR complex, ubiquitin-binding motif