BMRB Entry 6821
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6821
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Title: Human SOD before harboring the catalytic metal: Solution structure of copper depleted, disulfide reduced form PubMed: 16291742
Deposition date: 2005-09-09 Original release date: 2007-01-29
Authors: Banci, L.; Bertini, I.; Cantini, F.; D'Amelio, N.; Gaggelli, E.
Citation: Banci, L.; Bertini, I.; Cantini, F.; D'Amelio, N.; Gaggelli, E.. "Human SOD1 before harboring the catalytic metal: Solution structure of copper depleted, disulfide reduced form" J. Biol. Chem. 281, 2333-2337 (2006).
Assembly members:
Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1), polymer, 153 residues, Formula weight is not available
ZN, non-polymer, 65.409 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
Entity Sequences (FASTA):
Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1): ATKAVAVLKGDGPVQGIINF
EQKESNGPVKVWGSIKGLTE
GLHGFHVHEFGDNTAGCTSA
GPHFNPLSRKHGGPKDEERH
VGDLGNVTADKDGVADVSIE
DSVISLSGDHSIIGRTLVVH
EKADDLGKGGNEESTKTGNA
GSRLACGVIGIAQ
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 497 |
15N chemical shifts | 158 |
1H chemical shifts | 987 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Superoxide dismutase [Cu-Zn], chain A | 1 |
2 | Superoxide dismutase [Cu-Zn], chain B | 1 |
3 | ZINC ION, 1 | 2 |
4 | ZINC ION, 2 | 2 |
Entities:
Entity 1, Superoxide dismutase [Cu-Zn], chain A 153 residues - Formula weight is not available
1 | ALA | THR | LYS | ALA | VAL | ALA | VAL | LEU | LYS | GLY | ||||
2 | ASP | GLY | PRO | VAL | GLN | GLY | ILE | ILE | ASN | PHE | ||||
3 | GLU | GLN | LYS | GLU | SER | ASN | GLY | PRO | VAL | LYS | ||||
4 | VAL | TRP | GLY | SER | ILE | LYS | GLY | LEU | THR | GLU | ||||
5 | GLY | LEU | HIS | GLY | PHE | HIS | VAL | HIS | GLU | PHE | ||||
6 | GLY | ASP | ASN | THR | ALA | GLY | CYS | THR | SER | ALA | ||||
7 | GLY | PRO | HIS | PHE | ASN | PRO | LEU | SER | ARG | LYS | ||||
8 | HIS | GLY | GLY | PRO | LYS | ASP | GLU | GLU | ARG | HIS | ||||
9 | VAL | GLY | ASP | LEU | GLY | ASN | VAL | THR | ALA | ASP | ||||
10 | LYS | ASP | GLY | VAL | ALA | ASP | VAL | SER | ILE | GLU | ||||
11 | ASP | SER | VAL | ILE | SER | LEU | SER | GLY | ASP | HIS | ||||
12 | SER | ILE | ILE | GLY | ARG | THR | LEU | VAL | VAL | HIS | ||||
13 | GLU | LYS | ALA | ASP | ASP | LEU | GLY | LYS | GLY | GLY | ||||
14 | ASN | GLU | GLU | SER | THR | LYS | THR | GLY | ASN | ALA | ||||
15 | GLY | SER | ARG | LEU | ALA | CYS | GLY | VAL | ILE | GLY | ||||
16 | ILE | ALA | GLN |
Entity 2, ZINC ION, 1 - Zn - 65.409 Da.
1 | ZN |
Samples:
sample_1: Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1), [U-15N], 1.5 mM; ZINC (II) ION 1.5 mM; sodium phosphate 20 mM; DTT buffer 20 mM; H2O 90%; D2O 10%
sample_2: Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1), [U-13C; U-15N], 1 mM; ZINC (II) ION 1 mM; sodium phosphate 20 mM; DTT buffer 20 mM; H2O 90%; D2O 10%
sample_3: Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1), [U-70% 2H; U-13C; U-15N], 1 mM; ZINC (II) ION 1 mM; sodium phosphate 20 mM; DTT buffer 20 mM; H2O 90%; D2O 10%
sample_cond_1: ionic strength: 20 mM; pH: 5; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D NOESY | not available | not available | sample_cond_1 |
HNHA | not available | not available | sample_cond_1 |
3D 15N-separated NOESY | not available | not available | sample_cond_1 |
3D 13C-separated NOESY | not available | not available | sample_cond_1 |
H(C)CH TOCSY | not available | not available | sample_cond_1 |
(H)CCH TOCSY | not available | not available | sample_cond_1 |
TROSY-HNCACB | not available | not available | sample_cond_1 |
TROSY-HNCA | not available | not available | sample_cond_1 |
TROSY HN(CO)CA | not available | not available | sample_cond_1 |
TROSY HNCO | not available | not available | sample_cond_1 |
TROSY HN(CA)CO | not available | not available | sample_cond_1 |
Software:
xwinnmr - collection
NEASY - data analysis
CYANA v1.03 - structure solution
AMBER v8 - refinement
NMR spectrometers:
- Bruker AVANCE 900 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts