BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30340

Title: Structures of REV1 UBM2 domain complex with ubiquitin and with the first small-molecule that inhibits the REV1 UBM2-ubiquitin interaction   PubMed: 29864443

Deposition date: 2017-09-06 Original release date: 2018-06-21

Authors: Fujii, N.; Vanarotti, M.

Citation: Vanarotti, Murugendra; Grace, Christy; Miller, Darcie; Actis, Marcelo; Inoue, Akira; Evison, Benjamin; Vaithiyalingam, Sivaraja; Singh, Aman; McDonald, Ezelle; Fujii, Naoaki. "Structures of REV1 UBM2 Domain Complex with Ubiquitin and with a Small-Molecule that Inhibits the REV1 UBM2-Ubiquitin Interaction"  J. Mol. Biol. 430, 2857-2872 (2018).

Assembly members:
entity_1, polymer, 72 residues, 7813.632 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli-Pichia pastoris shuttle vector pPpARG4

Entity Sequences (FASTA):
entity_1: MGSSHHHHHHHHLNGSSLVP RGSIKSSGLESNSDAGINLI ALPAFSQVDPEVFAALPAEL QRELKAAYDQRQ

Data sets:
Data typeCount
13C chemical shifts58
15N chemical shifts55
1H chemical shifts99

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 72 residues - 7813.632 Da.

1   METGLYSERSERHISHISHISHISHISHIS
2   HISHISLEUASNGLYSERSERLEUVALPRO
3   ARGGLYSERILELYSSERSERGLYLEUGLU
4   SERASNSERASPALAGLYILEASNLEUILE
5   ALALEUPROALAPHESERGLNVALASPPRO
6   GLUVALPHEALAALALEUPROALAGLULEU
7   GLNARGGLULEULYSALAALATYRASPGLN
8   ARGGLN

Samples:

sample_1: REV1 UBM2, [U-13C; U-15N], 0.5 mM

sample_2: REV1 UBM2, [U-99% 15N], 0.5 mM

sample_conditions_1: ionic strength: 0.5 mM; pH: 7.0; pressure: 1 mbar; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2anisotropicsample_conditions_1
3D HNCAsample_1anisotropicsample_conditions_1
3D HNCACBsample_1anisotropicsample_conditions_1
3D HCCH-TOCSYsample_1anisotropicsample_conditions_1
3D 1H-15N NOESYsample_2anisotropicsample_conditions_1
2D 1H-13C HSQCsample_1anisotropicsample_conditions_1

Software:

CARA, Keller and Wuthrich - peak picking, refinement

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

TOPSPIN, Bruker Biospin - data analysis

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts