BMRB Entry 18708
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18708
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Citation: Knight, Michael; Felli, Isabella; Pierattelli, Roberta; Bertini, Ivano; Emsley, Lyndon; Herrmann, Torsten; Pintacuda, Guido. "Rapid measurement of pseudocontact shifts in metalloproteins by proton-detected solid-state NMR spectroscopy." J. Am. Chem. Soc. 134, 14730-14733 (2012).
PubMed: 22916960
Assembly members:
SUPEROXIDE_DISMUTASE_CU-ZN, polymer, 153 residues, 15747.3145 Da.
entity_CO, non-polymer, 58.933 Da.
entity_CU, non-polymer, 63.546 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: ATKAVAVLKGDGPVQGIINF
EQKESNGPVKVWGSIKGLTE
GLHGFHVHEFGDNTAGCTSA
GPHFNPLSRKHGGPKDEERH
VGDLGNVTADKDGVADVSIE
DSVISLSGDHSIIGRTLVVH
EKADDLGKGGNEESTKTGNA
GSRLACGVIGIAQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 245 |
| 15N chemical shifts | 136 |
| 1H chemical shifts | 136 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SUPEROXIDE DISMUTASE [CU-ZN] | 1 |
| 2 | COBALT (II) ION | 2 |
| 3 | COPPER (II) ION | 3 |
Entities:
Entity 1, SUPEROXIDE DISMUTASE [CU-ZN] 153 residues - 15747.3145 Da.
| 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, COBALT (II) ION - Co - 58.933 Da.
| 1 | CO |
Entity 3, COPPER (II) ION - Cu - 63.546 Da.
| 1 | CU |
Samples:
sample_1: SUPEROXIDE DISMUTASE [CU-ZN], [U-13C; U-15N], mM
sample_conditions_1: ionic strength: . mM; pH: .; pressure: . atm; temperature: 298.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NMR_expt | sample_1 | solid | sample_conditions_1 |
Software:
AutoDep v4.3, PDBe - chemical shift assignment
CYANA vany, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, data analysis
NMR spectrometers:
- Bruker Avance 1000 MHz
Related Database Links:
| UNP | SODC_HUMAN |
| BMRB | 15711 15712 15713 15714 18509 18968 19962 26570 4202 |
| PDB | |
| DBJ | BAA14373 BAC20345 BAG35052 BAG73767 |
| EMBL | CAA26182 CAG29351 CAG46542 |
| GB | AAA72747 AAA80237 AAB05661 AAB05662 AAB27818 |
| REF | NP_000445 NP_001009025 XP_003813274 XP_004062735 XP_004062736 |
| SP | P00441 P60052 |
| AlphaFold | Q6NR85 P00441 P60052 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks