BMRB Entry 7126
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7126
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Title: 1H,13C and 15N resonance assignments of barnase-barstar complex NMR deuterium methyl relaxation data for free barnase and barnase-barstar complex PubMed: 17306298
Deposition date: 2006-05-22 Original release date: 2007-03-06
Authors: Zhuravleva, Anastasia; Korzhnev, Dmitry; Nolde, Svetlana; Kay, Lewis; Arseniev, Alexander; Billiter, Martin; Orekhov, Vladislav
Citation: Zhuravleva, Anastasia; Korzhnev, Dmitry; Nolde, Svetlana; Kay, Lewis; Arseniev, Alexander; Billiter, Martin; Orekhov, Vladislav. "Propagation of dynamic changes in barnase upon binding of barstar: an NMR and computational study" J. Mol. Biol. 367, 1079-1092 (2007).
Assembly members:
barnase, polymer, 110 residues, 12401.9 Da.
barstar, polymer, 89 residues, 10223.7 Da.
Natural source: Common Name: Bacillus amyloliquefaciens Taxonomy ID: 1390 Superkingdom: Eubacteria Kingdom: Not applicable Genus/species: Bacillus amyloliquefaciens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
barnase: AQVINTFDGVADYLQTYHKL
PDNYITKSEAQALGWVASKG
NLADVAPGKSIGGDIFSNRE
GKLPGKSGRTWREADINYTS
GFRNSDRILYSSDWLIYKTT
DHYQTFTKIR
barstar: KKAVINGEQIRSISDLHQTL
KKELALPEYYGENLDALWDC
LTGWVEYPLVLEWRQFEQSK
QLTENGAESVLQVFREAKAE
GCDITIILS
- assigned_chemical_shifts
- order_parameters
Data type | Count |
13C chemical shifts | 250 |
15N chemical shifts | 102 |
1H chemical shifts | 266 |
order parameters | 38 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | barnase | 1 |
2 | barstar | 2 |
Entities:
Entity 1, barnase 110 residues - 12401.9 Da.
1 | ALA | GLN | VAL | ILE | ASN | THR | PHE | ASP | GLY | VAL | |
2 | ALA | ASP | TYR | LEU | GLN | THR | TYR | HIS | LYS | LEU | |
3 | PRO | ASP | ASN | TYR | ILE | THR | LYS | SER | GLU | ALA | |
4 | GLN | ALA | LEU | GLY | TRP | VAL | ALA | SER | LYS | GLY | |
5 | ASN | LEU | ALA | ASP | VAL | ALA | PRO | GLY | LYS | SER | |
6 | ILE | GLY | GLY | ASP | ILE | PHE | SER | ASN | ARG | GLU | |
7 | GLY | LYS | LEU | PRO | GLY | LYS | SER | GLY | ARG | THR | |
8 | TRP | ARG | GLU | ALA | ASP | ILE | ASN | TYR | THR | SER | |
9 | GLY | PHE | ARG | ASN | SER | ASP | ARG | ILE | LEU | TYR | |
10 | SER | SER | ASP | TRP | LEU | ILE | TYR | LYS | THR | THR | |
11 | ASP | HIS | TYR | GLN | THR | PHE | THR | LYS | ILE | ARG |
Entity 2, barstar 89 residues - 10223.7 Da.
1 | LYS | LYS | ALA | VAL | ILE | ASN | GLY | GLU | GLN | ILE | ||||
2 | ARG | SER | ILE | SER | ASP | LEU | HIS | GLN | THR | LEU | ||||
3 | LYS | LYS | GLU | LEU | ALA | LEU | PRO | GLU | TYR | TYR | ||||
4 | GLY | GLU | ASN | LEU | ASP | ALA | LEU | TRP | ASP | CYS | ||||
5 | LEU | THR | GLY | TRP | VAL | GLU | TYR | PRO | LEU | VAL | ||||
6 | LEU | GLU | TRP | ARG | GLN | PHE | GLU | GLN | SER | LYS | ||||
7 | GLN | LEU | THR | GLU | ASN | GLY | ALA | GLU | SER | VAL | ||||
8 | LEU | GLN | VAL | PHE | ARG | GLU | ALA | LYS | ALA | GLU | ||||
9 | GLY | CYS | ASP | ILE | THR | ILE | ILE | LEU | SER |
Samples:
sample_1: barnase, [U-13C; U-15N; U-40% 2H], 1.17 mM; barstar 1.17 mM
conditions_1: ionic strength: 0.03 M; pH: 6.7; temperature: 303 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
HNCACB | sample_1 | not available | conditions_1 |
CBCA(CO)NH | sample_1 | not available | conditions_1 |
(H)CC(CO)TOCSY | sample_1 | not available | conditions_1 |
H(CC)(CO)NH-TOCSY | sample_1 | not available | conditions_1 |
13C HSQC-RQ(3Dz2-2) | sample_1 | not available | conditions_1 |
13C HSQC-RQ(D+z+Dz+) | sample_1 | not available | conditions_1 |
13C HSQC-RQ(Dz) | sample_1 | not available | conditions_1 |
13C HSQC-RQ(D+) | sample_1 | not available | conditions_1 |
15N HSQC | sample_1 | not available | conditions_1 |
Software:
NMRPipe, Frank Delaglio -
CARA, . -
DASHA v4.1, Prof. A.S Arseniev -
NMR spectrometers:
- Varian INOVA 500 MHz
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Related Database Links:
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts