BMRB Entry 30276

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30276
MolProbity Validation Chart

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Title:
Solution NMR structure of human RAD18 (198-240) in complex with ubiquitin
Deposition date:
2017-04-06
Original release date:
2017-05-15
Authors:
Hu, Q.; Botuyan, M.; Mer, G.
Citation:

Citation: Hu, Qi; Botuyan, Maria Victoria; Cui, Gaofeng; Zhao, Debiao; Mer, Georges. "Mechanisms of Ubiquitin-Nucleosome Recognition and Regulation of 53BP1 Chromatin Recruitment by RNF168/169 and RAD18"  Mol. Cell 66, 473-487.e9 (2017).
PubMed: 28506460

Assembly members:

Assembly members:
entity_1, polymer, 76 residues, 8576.831 Da.
entity_2, polymer, 46 residues, 5225.018 Da.
entity_ZN, non-polymer, 65.409 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGG
entity_2: GHMQVTKVDCPVCGVNIPES HINKHLDSCLSREEKKESLR SSVHKR

Data sets:
Data typeCount
13C chemical shifts391
15N chemical shifts109
1H chemical shifts835

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22
3entity_33

Entities:

Entity 1, entity_1 76 residues - 8576.831 Da.

1   METGLNILEPHEVALLYSTHRLEUTHRGLY
2   LYSTHRILETHRLEUGLUVALGLUPROSER
3   ASPTHRILEGLUASNVALLYSALALYSILE
4   GLNASPLYSGLUGLYILEPROPROASPGLN
5   GLNARGLEUILEPHEALAGLYLYSGLNLEU
6   GLUASPGLYARGTHRLEUSERASPTYRASN
7   ILEGLNLYSGLUSERTHRLEUHISLEUVAL
8   LEUARGLEUARGGLYGLY

Entity 2, entity_2 46 residues - 5225.018 Da.

1   GLYHISMETGLNVALTHRLYSVALASPCYS
2   PROVALCYSGLYVALASNILEPROGLUSER
3   HISILEASNLYSHISLEUASPSERCYSLEU
4   SERARGGLUGLULYSLYSGLUSERLEUARG
5   SERSERVALHISLYSARG

Entity 3, entity_3 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: KCl 50 mM; MES-Bis-TRIS 25 mM; RAD18, [U-100% 13C; U-100% 15N], 0.6 mM; Ubiquitin 3 mM; ZnCl2 10 uM

sample_2: KCl 50 mM; MES-Bis-TRIS 25 mM; RAD18 3 mM; Ubiquitin, [U-100% 13C; U-100% 15N], 0.6 mM; ZnCl2 10 uM

sample_3: KCl 50 mM; MES-Bis-TRIS 25 mM; RAD18, [U-15N], 0.9 mM; ZnCl2 10 uM

sample_4: KCl 50 mM; MES-Bis-TRIS 25 mM; RAD18, [U-100% 13C; U-100% 15N], 0.9 mM; ZnCl2 10 uM

sample_5: Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture 5%; KCl 50 mM; MES-Bis-TRIS 25 mM; RAD18, [U-100% 15N], 0.2 mM; Ubiquitin 1.0 mM; ZnCl2 10 uM

sample_6: Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture 5%; KCl 50 mM; MES-Bis-TRIS 25 mM; RAD18 1.0 mM; Ubiquitin, [U-100% 15N], 0.2 mM; ZnCl2 10 uM

sample_conditions_1: ionic strength: 50 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_4isotropicsample_conditions_1
2D 1H-13C HSQCsample_4isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_4isotropicsample_conditions_1
3D HNCACBsample_4isotropicsample_conditions_1
3D HBHA(CO)NHsample_4isotropicsample_conditions_1
3D HCCH-TOCSYsample_4isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_4isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D 15N/13C-FILTERED EDITED NOESYsample_1isotropicsample_conditions_1
3D 15N/13C-FILTERED EDITED NOESYsample_2isotropicsample_conditions_1
2D 1H-15N IPAP HSQCsample_5anisotropicsample_conditions_1
2D 1H-15N IPAP HSQCsample_6anisotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

  • Bruker Avance III 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks