BMRB Entry 4466
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4466
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Title: Chemical Shift assignments for Cu(I) Pseudoazurin from Paracoccus pantotrophus
Deposition date: 1999-11-30 Original release date: 2002-08-09
Authors: Thompson, Gary; Leung, Yun-Chung; Ferguson, Stuart; Radford, Sheena; Redfield, Christina
Citation: Thompson, Gary; Leung, Yun-Chung; Ferguson, Stuart; Radford, Sheena; Redfield, Christina. "The Structure and Dynamics in Solution of Cu(I) Pseudoazurin from Paracoccus pantotrophus." Protein Sci. 9, 846-858 (2000).
Assembly members:
pseudoazurin, polymer, 123 residues, 13341.29 Da.
CU1, non-polymer, 63.546 Da.
Natural source: Common Name: Paracoccus pantotrophus Taxonomy ID: 82367 Superkingdom: Prokaryote Kingdom: Monera Genus/species: Paracoccus pantotrophus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
pseudoazurin: ATHEVHMLNKGESGAMVFEP
AFVRAEPGDVINFVPTDKSH
NVEAIKEILPEGVESFKSKI
NESYTLTVTEPGLYGVKCTP
HFGMGMVGLVQVGDAPENLD
AAKTAKMPKKARERMDAELA
QVN
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 838 |
| 15N chemical shifts | 121 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Pseudoazurin | 1 |
| 2 | Copper I ion | 2 |
Entities:
Entity 1, Pseudoazurin 123 residues - 13341.29 Da.
| 1 | ALA | THR | HIS | GLU | VAL | HIS | MET | LEU | ASN | LYS | ||||
| 2 | GLY | GLU | SER | GLY | ALA | MET | VAL | PHE | GLU | PRO | ||||
| 3 | ALA | PHE | VAL | ARG | ALA | GLU | PRO | GLY | ASP | VAL | ||||
| 4 | ILE | ASN | PHE | VAL | PRO | THR | ASP | LYS | SER | HIS | ||||
| 5 | ASN | VAL | GLU | ALA | ILE | LYS | GLU | ILE | LEU | PRO | ||||
| 6 | GLU | GLY | VAL | GLU | SER | PHE | LYS | SER | LYS | ILE | ||||
| 7 | ASN | GLU | SER | TYR | THR | LEU | THR | VAL | THR | GLU | ||||
| 8 | PRO | GLY | LEU | TYR | GLY | VAL | LYS | CYS | THR | PRO | ||||
| 9 | HIS | PHE | GLY | MET | GLY | MET | VAL | GLY | LEU | VAL | ||||
| 10 | GLN | VAL | GLY | ASP | ALA | PRO | GLU | ASN | LEU | ASP | ||||
| 11 | ALA | ALA | LYS | THR | ALA | LYS | MET | PRO | LYS | LYS | ||||
| 12 | ALA | ARG | GLU | ARG | MET | ASP | ALA | GLU | LEU | ALA | ||||
| 13 | GLN | VAL | ASN |
Entity 2, Copper I ion - Cu - 63.546 Da.
| 1 | CU1 |
Samples:
pazcu1_h2o_sample1: pseudoazurin, [U-15N], 3 mM; COPPER (I) ION 3 mM; H2O 95%; D2O 5%; Na2S2O4 6.6 mM; PO42- 20 mM
pazcu1_d2o_sample1: pseudoazurin, [U-15N], 3 mM; COPPER (I) ION 3 mM; D2O 100%; Na2S2O4 6.6 mM; PO42- 20 mM
standard_conditions: pH: 6.6; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H - 1H double quantum filtered COSY | pazcu1_d2o_sample1 | not available | standard_conditions |
| 1H - 1H 60ms TOCSY | pazcu1_d2o_sample1 | not available | standard_conditions |
| 1H - 1H 200ms NOESY | pazcu1_d2o_sample1 | not available | standard_conditions |
Software:
FELIX v2.3, MSI - raw spectral data (FID) transformations, strip extraction, initial chemical shift measurements
NMRView v2.00 - 4.03, Bruce Johnson, Merck and Co. - peak picking, computer aided assignment, restraint generation
NMR spectrometers:
- homebuilt . 750 MHz
Related Database Links:
| PDB | |
| EMBL | CAA93848 CAA97485 |
| GB | KGJ09874 |
| REF | WP_024842647 WP_036756592 |
| SP | P80401 |
| AlphaFold | P80401 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts