BMRB Entry 18990

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18990
MolProbity Validation Chart

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Title:
protein structure
Deposition date:
2013-01-30
Original release date:
2012-01-24
Authors:
Noh, Yeong; Mercier, Pascal; Spratt, Donald; Shaw, Gary
Citation:

Citation: Spratt, Donald; Martinez-Torres, R. Julio; Noh, Yeong; Mercier, Pascal; Manczyk, Noah; Barber, Kathryn; Aguirre, Jacob; Burchell, Lynn; Purkiss, Andrew; Walden, Helen; Shaw, Gary. "A molecular explanation for the recessive nature of parkin-linked Parkinson's disease"  Nat. Commun. 4, .-. (2013).

Assembly members:

Assembly members:
entity_1, polymer, 141 residues, 15460.624 Da.
entity_ZN, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: fruit fly   Taxonomy ID: 7227   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Drosophila melanogaster

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-6P2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: EEYVLQAGGVLCPQPGCGMG LLVEPDCRKVTCQNGCGYVF CRNCLQGYHIGECLPEGTGA SATNSCEYTVDPNRAAEARW DEASNVTIKVSTKPCPKCRT PTERDGGCMHMVCTRAGCGF EWCWVCQTEWTRDCMGAHWF G

Data sets:
Data typeCount
13C chemical shifts540
15N chemical shifts134
1H chemical shifts760

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2ZINC ION_12
3ZINC ION_22
4ZINC ION_32
5ZINC ION_42

Entities:

Entity 1, entity_1 141 residues - 15460.624 Da.

1   GLUGLUTYRVALLEUGLNALAGLYGLYVAL
2   LEUCYSPROGLNPROGLYCYSGLYMETGLY
3   LEULEUVALGLUPROASPCYSARGLYSVAL
4   THRCYSGLNASNGLYCYSGLYTYRVALPHE
5   CYSARGASNCYSLEUGLNGLYTYRHISILE
6   GLYGLUCYSLEUPROGLUGLYTHRGLYALA
7   SERALATHRASNSERCYSGLUTYRTHRVAL
8   ASPPROASNARGALAALAGLUALAARGTRP
9   ASPGLUALASERASNVALTHRILELYSVAL
10   SERTHRLYSPROCYSPROLYSCYSARGTHR
11   PROTHRGLUARGASPGLYGLYCYSMETHIS
12   METVALCYSTHRARGALAGLYCYSGLYPHE
13   GLUTRPCYSTRPVALCYSGLNTHRGLUTRP
14   THRARGASPCYSMETGLYALAHISTRPPHE
15   GLY

Entity 2, ZINC ION_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: TRIS 25 mM; sodium chloride 150 mM; DTT 5 mM; entity_1, [U-98% 15N], 500 uM; H20 90%; D20 10%

sample_2: TRIS 25 mM; sodium chloride 150 mM; DTT 5 mM; entity_1, [U-98% 13C; U-98% 15N], 500 uM; H2O 90%; D2O 10%

sample_3: TRIS 25 mM; sodium chloride 150 mM; DTT 5 mM; entity_1, [U-98% 13C; U-98% 15N], 500 uM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.150 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_3isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_3isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HCACOsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNHAsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_3isotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_3isotropicsample_conditions_1
3D HNHBsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_3isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D 13C TOCSY aromaticsample_3isotropicsample_conditions_1

Software:

VNMRJ vVarian VnmrJ 2.2D, Varian - collection

NMRPipe v2011.084.20.33, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw vVer 5.7 Rev 2011.084.20.33, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView v8.2.33 with Java 1.6.0_31, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH v2.33, Schwieters, Kuszewski, Tjandra and Clore - refinement

TALOS vTALOSPlus, Cornilescu, Delaglio and Bax - geometry optimization

Procheck v3.5.4, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
GB AAL13983 AAM18800 AAM43930 AAN12154 AAN12155
REF NP_730600 NP_730601 XP_001973584 XP_002040765 XP_002085754

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