BMRB Entry 6726
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6726
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Title: Solution structure of self-sacrificing resistance protein CalC from Micromonospora echinospora
Deposition date: 2005-07-08 Original release date: 2006-09-06
Authors: Singh, Shanteri; Thorson, Jon; Hager, Martin; Hallenga, Klaas; Markley, John
Citation: Singh, Shanteri; Hager, Martin; Zhang, Changsheng; Griffith, Bryon; Lee, Min; Hallenga, Klaas; Markley, John; Thorson, Jon. "Structural Insight into the Self-Sacrifice Mechanism of Enediyne Resistance" Chem. Biol. 1, 451-460 (2006).
Assembly members:
CalC, polymer, 155 residues, Formula weight is not available
Natural source: Common Name: Micromonospora echinospora Taxonomy ID: 1877 Superkingdom: Eubacteria Kingdom: not available Genus/species: Micromonospora echinospora
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
CalC: NYDPFVRHSVTVKADRKTAF
KTFLEGFPEWWPNNFRTTKV
GAPLGVDKKGGRWYEIDEQG
EEHTFGLIRKVDEPDTLVIG
WRLNGFGRIDPDNSSEFTVT
FVADGQKKTRVDVEHTHFDR
MGTKHAKRVRNGMDKGWPTI
LQSFQDKIDEEGAKK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 596 |
| 15N chemical shifts | 156 |
| 1H chemical shifts | 937 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | self-sacrificing resistance protein | 1 |
Entities:
Entity 1, self-sacrificing resistance protein 155 residues - Formula weight is not available
| 1 | ASN | TYR | ASP | PRO | PHE | VAL | ARG | HIS | SER | VAL | ||||
| 2 | THR | VAL | LYS | ALA | ASP | ARG | LYS | THR | ALA | PHE | ||||
| 3 | LYS | THR | PHE | LEU | GLU | GLY | PHE | PRO | GLU | TRP | ||||
| 4 | TRP | PRO | ASN | ASN | PHE | ARG | THR | THR | LYS | VAL | ||||
| 5 | GLY | ALA | PRO | LEU | GLY | VAL | ASP | LYS | LYS | GLY | ||||
| 6 | GLY | ARG | TRP | TYR | GLU | ILE | ASP | GLU | GLN | GLY | ||||
| 7 | GLU | GLU | HIS | THR | PHE | GLY | LEU | ILE | ARG | LYS | ||||
| 8 | VAL | ASP | GLU | PRO | ASP | THR | LEU | VAL | ILE | GLY | ||||
| 9 | TRP | ARG | LEU | ASN | GLY | PHE | GLY | ARG | ILE | ASP | ||||
| 10 | PRO | ASP | ASN | SER | SER | GLU | PHE | THR | VAL | THR | ||||
| 11 | PHE | VAL | ALA | ASP | GLY | GLN | LYS | LYS | THR | ARG | ||||
| 12 | VAL | ASP | VAL | GLU | HIS | THR | HIS | PHE | ASP | ARG | ||||
| 13 | MET | GLY | THR | LYS | HIS | ALA | LYS | ARG | VAL | ARG | ||||
| 14 | ASN | GLY | MET | ASP | LYS | GLY | TRP | PRO | THR | ILE | ||||
| 15 | LEU | GLN | SER | PHE | GLN | ASP | LYS | ILE | ASP | GLU | ||||
| 16 | GLU | GLY | ALA | LYS | LYS |
Samples:
sample_1: CalC, [U-95% 13C; U-90% 15N], 0.8 ± 0.1 mM; NaPO4 10 mM; NaCl 150 mM
conditions_1: ionic strength: 0.150 M; pH: 7.3; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | not available | not available | not available |
| 1H-13C HSQC | not available | not available | not available |
| HNCO | not available | not available | not available |
| HNCACB | not available | not available | not available |
| CBCA(CO)NH | not available | not available | not available |
| HBHA(CO)NH | not available | not available | not available |
| H(CCO)NH | not available | not available | not available |
| C(CO)NH | not available | not available | not available |
| H(C)CH TOCSY | not available | not available | not available |
| (H)CCH TOCSY | not available | not available | not available |
| NOESY | not available | not available | not available |
Software:
No software information available
NMR spectrometers:
- Varian UNITY-INOVA 600 MHz
- Varian UNITY-INOVA 800 MHz
- Varian UNITY-INOVA 900 MHz
Download simulated HSQC data in one of the following formats:
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or all simulated shifts
SPARKY: Backbone
or all simulated shifts