BMRB Entry 18013
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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/BMR18013
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Title: Staphylococcal Nuclease PHS variant PubMed: 22619184
Deposition date: 2011-10-21 Original release date: 2012-06-05
Authors: Matzapetakis, Manolis; Pais, Tiago; Lamosa, Pedro; Turner, David; Santos, Helena
Citation: Pais, Tiago; Lamosa, Pedro; Matzapetakis, Manolis; Turner, David; Santos, Helena. "Mannosylglycerate stabilizes staphylococcal nuclease with restriction of slow -sheet motions." Protein Sci. 21, 1126-1137 (2012).
Assembly members:
SNase_PHS, polymer, 149 residues, 16742.2689 Da.
Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SNase_PHS: ATSTKKLHKEPATLIKAIDG
DTVKLMYKGQPMTFRLLLVD
TPETKHPKKGVEKYGPEASA
FTKKMVENAKKIEVEFDKGQ
RTDKYGRGLAYIYADGKMVN
EALVRQGLAKVAYVYKGNNT
HEQLLRKAEAQAKKEKLNIW
SEDNADSGQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 642 |
| 15N chemical shifts | 159 |
| 1H chemical shifts | 1046 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SNase PHS | 1 |
Entities:
Entity 1, SNase PHS 149 residues - 16742.2689 Da.
| 1 | ALA | THR | SER | THR | LYS | LYS | LEU | HIS | LYS | GLU | ||||
| 2 | PRO | ALA | THR | LEU | ILE | LYS | ALA | ILE | ASP | GLY | ||||
| 3 | ASP | THR | VAL | LYS | LEU | MET | TYR | LYS | GLY | GLN | ||||
| 4 | PRO | MET | THR | PHE | ARG | LEU | LEU | LEU | VAL | ASP | ||||
| 5 | THR | PRO | GLU | THR | LYS | HIS | PRO | LYS | LYS | GLY | ||||
| 6 | VAL | GLU | LYS | TYR | GLY | PRO | GLU | ALA | SER | ALA | ||||
| 7 | PHE | THR | LYS | LYS | MET | VAL | GLU | ASN | ALA | LYS | ||||
| 8 | LYS | ILE | GLU | VAL | GLU | PHE | ASP | LYS | GLY | GLN | ||||
| 9 | ARG | THR | ASP | LYS | TYR | GLY | ARG | GLY | LEU | ALA | ||||
| 10 | TYR | ILE | TYR | ALA | ASP | GLY | LYS | MET | VAL | ASN | ||||
| 11 | GLU | ALA | LEU | VAL | ARG | GLN | GLY | LEU | ALA | LYS | ||||
| 12 | VAL | ALA | TYR | VAL | TYR | LYS | GLY | ASN | ASN | THR | ||||
| 13 | HIS | GLU | GLN | LEU | LEU | ARG | LYS | ALA | GLU | ALA | ||||
| 14 | GLN | ALA | LYS | LYS | GLU | LYS | LEU | ASN | ILE | TRP | ||||
| 15 | SER | GLU | ASP | ASN | ALA | ASP | SER | GLY | GLN |
Samples:
13C15N: SNase PHS, [U-13C; U-15N], 1.0 mM
310K: ionic strength: 0.060 M; pH: 5.500; pressure: 1.000 atm; temperature: 310.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC/HMQC | 13C15N | isotropic | 310K |
| 3D 1H-13C NOESY | 13C15N | isotropic | 310K |
| 2D 1H-15N HSQC/HMQC | 13C15N | isotropic | 310K |
| 3D 1H-15N NOESY | 13C15N | isotropic | 310K |
| 3D CBCA(CO)NH | 13C15N | isotropic | 310K |
| CBcgcgHD (hbCBcgcdHD) | 13C15N | isotropic | 310K |
| hCCH TOCSY (hC_CH.TOCSY) | 13C15N | isotropic | 310K |
| 3D HNCACB | 13C15N | isotropic | 310K |
| 3D HBHA(CO)NH | 13C15N | isotropic | 310K |
| 2D 1H-1H NOESY | 13C15N | isotropic | 310K |
Software:
CARA v1.8.4, Keller and Wuthrich - Assignment
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - Explicit water refinement
ANALYSIS v2.1, CCPN - data analysis, NOESY assignment
CcpNmr_Entry_Completion_Interface v2.1, PDBe & CCPN - data deposition
TOPSPIN v2.1, Bruker Biospin - Data collection and processing
UNIO v2.0, Herrmann, Guntert and Wuthrich - Structure determination
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Bruker Avance III 800 MHz
Related Database Links:
| BMRB | 16585 1704 17718 1874 1875 1876 1877 1878 18788 4010 4052 4053 |
| PDB | |
| DBJ | BAB41979 BAB56977 BAB94634 BAF67032 BAF77694 |
| EMBL | CAA24594 CAG39855 CAG42530 CAI80436 CAQ49298 |
| GB | AAC14660 AAW36415 ABD22328 ABD29945 ABE02272 |
| PRF | 1109959A 710414A |
| REF | WP_000141556 WP_000141557 WP_001548082 WP_001566557 WP_001574556 |
| SP | P00644 Q5HHM4 Q6GB41 Q6GIK1 Q7A6P2 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts