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
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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: 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:
entity_1, polymer, 141 residues, 15460.624 Da.
entity_ZN, non-polymer, 65.409 Da.
Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: EEYVLQAGGVLCPQPGCGMG
LLVEPDCRKVTCQNGCGYVF
CRNCLQGYHIGECLPEGTGA
SATNSCEYTVDPNRAAEARW
DEASNVTIKVSTKPCPKCRT
PTERDGGCMHMVCTRAGCGF
EWCWVCQTEWTRDCMGAHWF
G
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 540 |
| 15N chemical shifts | 134 |
| 1H chemical shifts | 760 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | ZINC ION_1 | 2 |
| 3 | ZINC ION_2 | 2 |
| 4 | ZINC ION_3 | 2 |
| 5 | ZINC ION_4 | 2 |
Entities:
Entity 1, entity_1 141 residues - 15460.624 Da.
| 1 | GLU | GLU | TYR | VAL | LEU | GLN | ALA | GLY | GLY | VAL | ||||
| 2 | LEU | CYS | PRO | GLN | PRO | GLY | CYS | GLY | MET | GLY | ||||
| 3 | LEU | LEU | VAL | GLU | PRO | ASP | CYS | ARG | LYS | VAL | ||||
| 4 | THR | CYS | GLN | ASN | GLY | CYS | GLY | TYR | VAL | PHE | ||||
| 5 | CYS | ARG | ASN | CYS | LEU | GLN | GLY | TYR | HIS | ILE | ||||
| 6 | GLY | GLU | CYS | LEU | PRO | GLU | GLY | THR | GLY | ALA | ||||
| 7 | SER | ALA | THR | ASN | SER | CYS | GLU | TYR | THR | VAL | ||||
| 8 | ASP | PRO | ASN | ARG | ALA | ALA | GLU | ALA | ARG | TRP | ||||
| 9 | ASP | GLU | ALA | SER | ASN | VAL | THR | ILE | LYS | VAL | ||||
| 10 | SER | THR | LYS | PRO | CYS | PRO | LYS | CYS | ARG | THR | ||||
| 11 | PRO | THR | GLU | ARG | ASP | GLY | GLY | CYS | MET | HIS | ||||
| 12 | MET | VAL | CYS | THR | ARG | ALA | GLY | CYS | GLY | PHE | ||||
| 13 | GLU | TRP | CYS | TRP | VAL | CYS | GLN | THR | GLU | TRP | ||||
| 14 | THR | ARG | ASP | CYS | MET | GLY | ALA | HIS | TRP | PHE | ||||
| 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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_3 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HCACO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_2 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCD)HD | sample_3 | isotropic | sample_conditions_1 |
| 2D (HB)CB(CGCDCE)HE | sample_3 | isotropic | sample_conditions_1 |
| 3D HNHB | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_3 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D 13C TOCSY aromatic | sample_3 | isotropic | sample_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 simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts