BMRB Entry 4980
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4980
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Crescenzi, Orlando; Carotenuto, Alfonso; D'Ursi, Anna; Tancredi, Teodorico; D'Alessio, Giuseppe; Avitabile, Francesca; Picone, Delia. "Letter to the Editor: 1H and 15N sequential assignment and secondary structure
of the monomeric N67D mutant of bovine seminal ribonuclease" J. Biomol. NMR 20, 289-290 (2001).
Assembly members:
bovine seminal ribonuclease monomer, polymer, 125 residues, Formula weight is not available
GLUTATHIONE, non-polymer, 307.323 Da.
Natural source: Common Name: bull Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-22b+
Entity Sequences (FASTA):
bovine seminal ribonuclease monomer: MKESAAAKFERQHMDSGNSP
SSSSNYCNLMMCCRKMTQGK
CKPVNTFVHESLADVKAVCS
QKKVTCKDGQTNCYQSKSTM
RITDCRETGSSKYPNCAYKT
TQVEKHIIVACGGKPSVPVH
FDASV
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 129 |
| 1H chemical shifts | 710 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ribonuclease | 1 |
| 2 | glutathione_1 | 2 |
| 3 | glutathione_2 | 2 |
Entities:
Entity 1, ribonuclease 125 residues - Formula weight is not available
| 1 | MET | LYS | GLU | SER | ALA | ALA | ALA | LYS | PHE | GLU | ||||
| 2 | ARG | GLN | HIS | MET | ASP | SER | GLY | ASN | SER | PRO | ||||
| 3 | SER | SER | SER | SER | ASN | TYR | CYS | ASN | LEU | MET | ||||
| 4 | MET | CYS | CYS | ARG | LYS | MET | THR | GLN | GLY | LYS | ||||
| 5 | CYS | LYS | PRO | VAL | ASN | THR | PHE | VAL | HIS | GLU | ||||
| 6 | SER | LEU | ALA | ASP | VAL | LYS | ALA | VAL | CYS | SER | ||||
| 7 | GLN | LYS | LYS | VAL | THR | CYS | LYS | ASP | GLY | GLN | ||||
| 8 | THR | ASN | CYS | TYR | GLN | SER | LYS | SER | THR | MET | ||||
| 9 | ARG | ILE | THR | ASP | CYS | ARG | GLU | THR | GLY | SER | ||||
| 10 | SER | LYS | TYR | PRO | ASN | CYS | ALA | TYR | LYS | THR | ||||
| 11 | THR | GLN | VAL | GLU | LYS | HIS | ILE | ILE | VAL | ALA | ||||
| 12 | CYS | GLY | GLY | LYS | PRO | SER | VAL | PRO | VAL | HIS | ||||
| 13 | PHE | ASP | ALA | SER | VAL |
Entity 2, glutathione_1 - C10 H17 N3 O6 S - 307.323 Da.
| 1 | GSH |
Samples:
15N-labelled: bovine seminal ribonuclease monomer, [U-97% 15N], 2.0 mM; GLUTATHIONE 4.0 mM
standard: pH: 5.65; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | 15N-labelled | not available | standard |
| 2D 1H-1H DQ-COSY | 15N-labelled | not available | standard |
| 2D 1H-1H NOESY | 15N-labelled | not available | standard |
| 2D 1H-1H TOCSY | 15N-labelled | not available | standard |
| 2D 1H-1H CLEAN-TOCSY | 15N-labelled | not available | standard |
| 2D 1H-15N HSQC | 15N-labelled | not available | standard |
| 3D 1H-1H-15N NOESY | 15N-labelled | not available | standard |
| 3D 1H-1H-15N TOCSY | 15N-labelled | not available | standard |
| 3D HNHA | 15N-labelled | not available | standard |
| 3D HNHB | 15N-labelled | not available | standard |
Software:
nmrPipe - data processing
nmrView v4.0.3 - spectra visualization
dyana v1.5 - simulated annealing
amber v5.0 - restrained minimization
NMR spectrometers:
- Bruker DRX 500 MHz
- Bruker DRX 600 MHz
Related Database Links:
| PDB | |
| EMBL | CAA04155 CAA35716 |
| GenBank | AAB27820 AAB36140 |
| REF | NP_861526 |
| SWISS-PROT | P00669 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks