BMRB Entry 17324

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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/BMR17324
MolProbity Validation Chart

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Title:
NMR Solution Structure of the winged-helix domain from MUS81 junction-specific endonuclease
Deposition date:
2010-11-27
Original release date:
2013-09-16
Authors:
Harris, Richard; Fadden, Andrew; McDonald, Neil
Citation:

Citation: Fadden, A.; Harris, R.; McDonald, N.. "A winged helix domain in human Mus81 is required for DNA binding"  to be published ., .-..

Assembly members:

Assembly members:
Mus81-winged_helix_domain, polymer, 103 residues, 11476.323 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   Vector: pET41a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Mus81-winged_helix_domain: GSYWPARHSGARVILLVLYR EHLNPNGHHFLTKEELLQRC AQKSPRVAPGSAPPWPALRS LLHRNLVLRTHQPARYSLTP EGLELAQKLAESEGLSLLNV GIG

Data sets:
Data typeCount
13C chemical shifts432
15N chemical shifts90
1H chemical shifts727

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Mus81-winged helix domain1

Entities:

Entity 1, Mus81-winged helix domain 103 residues - 11476.323 Da.

Sequence corresponds to Crossover junction endonuclease MUS81 (human) residues 128-230 (uniprot Q96NY9)

1   GLYSERTYRTRPPROALAARGHISSERGLY
2   ALAARGVALILELEULEUVALLEUTYRARG
3   GLUHISLEUASNPROASNGLYHISHISPHE
4   LEUTHRLYSGLUGLULEULEUGLNARGCYS
5   ALAGLNLYSSERPROARGVALALAPROGLY
6   SERALAPROPROTRPPROALALEUARGSER
7   LEULEUHISARGASNLEUVALLEUARGTHR
8   HISGLNPROALAARGTYRSERLEUTHRPRO
9   GLUGLYLEUGLULEUALAGLNLYSLEUALA
10   GLUSERGLUGLYLEUSERLEULEUASNVAL
11   GLYILEGLY

Samples:

sample_1: Mus81-winged helix domain, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 25 mM; sodium chloride 250 mM; EDTA 1 mM; DTT 1 mM; D2O 10%; H2O 90%

sample_2: Mus81-winged helix domain, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 25 mM; sodium chloride 250 mM; EDTA 1 mM; DTT 1 mM; D2O 100%

sample_3: Mus81-winged helix domain, [U-100% 15N], 1 mM; sodium phosphate 25 mM; sodium chloride 250 mM; EDTA 1 mM; DTT 1 mM; n-octyl-penta(ethyleneglycol):octanol 0.96:1 5%; D2O 10%; H2O 90%

sample_4: Mus81-winged helix domain, [U-100% 15N], 1 mM; sodium phosphate 25 mM; sodium chloride 250 mM; EDTA 1 mM; DTT 1 mM; D2O 10%; H2O 90%

sample_conditions_1: ionic strength: 250 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 15N NOESY-HSQCsample_4isotropicsample_conditions_1
3D 13C NOESY-HSQCsample_2isotropicsample_conditions_1
3D 13C aromatic NOESY-HSQCsample_2isotropicsample_conditions_1
2D IPAPsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_4isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
2D 1H-13C aromatic HSQCsample_2isotropicsample_conditions_1

Software:

CNS, Brunger A. T. et.al. - refinement

ANSIG, Kraulis - data analysis

NMR spectrometers:

  • Varian UnityPlus 500 MHz

Related Database Links:

PDB
DBJ BAB14953 BAD97284 BAG54375 BAK63074
GB AAH09999 AAL28065 AIC57164 EAW74453 EAW74454
REF NP_001267425 NP_079404 XP_003274252 XP_003828690 XP_004051573
SP Q96NY9
AlphaFold Q96NY9

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