BMRB Entry 15560
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15560
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Title: 1H, 13C, and 15N NMR assignments of an engineered intein based on Mycobacterium tuberculosis RecA PubMed: 19636882
Deposition date: 2007-11-19 Original release date: 2008-06-05
Authors: Du, Zhenming; Liu, Yangzhong; Zheng, Yuchuan; Dansereau, John; Belfort, Marlene; Belfort, Georges; Van Roey, Patrick; Wang, Chunyu
Citation: Du, Zhenming; Liu, Yangzhong; Zheng, Yuchuan; McCallum, Scott; Dansereau, John; Derbyshire, Victoria; Belfort, Marlene; Belfort, Georges; Van Roey, Patrick; Wang, Chunyu. "1H, 13C, and 15N NMR assignments of an engineered intein based on Mycobacterium tuberculosis RecA" Biomol. NMR Assignments 2, 111-113 (2008).
Assembly members:
DDI-CM, polymer, 139 residues, 15282.4 Da.
Natural source: Common Name: Mycobacterium tuberculosis Taxonomy ID: 1773 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
DDI-CM: CLAEGTRIFDPVTGTTHRIE
DVVGGRKPIHVVAAAKDGTL
HARPVVSWFDQGTRDVIGLR
IAGGAILWATPDHKVLTEYG
WRAAGELRKGDRVAVRDVET
GELRYSVIREVLPTRRARTF
GLEVEELHTLVAEGVVVHN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 596 |
| 15N chemical shifts | 145 |
| 1H chemical shifts | 965 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | sununit 1 | 1 |
Entities:
Entity 1, sununit 1 139 residues - 15282.4 Da.
| 1 | CYS | LEU | ALA | GLU | GLY | THR | ARG | ILE | PHE | ASP | ||||
| 2 | PRO | VAL | THR | GLY | THR | THR | HIS | ARG | ILE | GLU | ||||
| 3 | ASP | VAL | VAL | GLY | GLY | ARG | LYS | PRO | ILE | HIS | ||||
| 4 | VAL | VAL | ALA | ALA | ALA | LYS | ASP | GLY | THR | LEU | ||||
| 5 | HIS | ALA | ARG | PRO | VAL | VAL | SER | TRP | PHE | ASP | ||||
| 6 | GLN | GLY | THR | ARG | ASP | VAL | ILE | GLY | LEU | ARG | ||||
| 7 | ILE | ALA | GLY | GLY | ALA | ILE | LEU | TRP | ALA | THR | ||||
| 8 | PRO | ASP | HIS | LYS | VAL | LEU | THR | GLU | TYR | GLY | ||||
| 9 | TRP | ARG | ALA | ALA | GLY | GLU | LEU | ARG | LYS | GLY | ||||
| 10 | ASP | ARG | VAL | ALA | VAL | ARG | ASP | VAL | GLU | THR | ||||
| 11 | GLY | GLU | LEU | ARG | TYR | SER | VAL | ILE | ARG | GLU | ||||
| 12 | VAL | LEU | PRO | THR | ARG | ARG | ALA | ARG | THR | PHE | ||||
| 13 | GLY | LEU | GLU | VAL | GLU | GLU | LEU | HIS | THR | LEU | ||||
| 14 | VAL | ALA | GLU | GLY | VAL | VAL | VAL | HIS | ASN |
Samples:
CM_mutant_H2O_sample: DDI-CM, [U-98% 13C; U-98% 15N], 0.3 ± 0.05 mM; sodium phosphate 50 ± 1 mM; sodium azide 1 ± 0.1 mM; sodium chloride 100 ± 5 mM; H2O 10%; D2O 90%
CM_mutant_D2O_sample: DDI-CM, [U-98% 13C; U-98% 15N], 0.3 ± 0.05 mM; sodium phosphate 50 ± 5 mM; sodium azide 1 ± 0.1 mM; sodium chloride 100 ± 5 mM; D2O 90%
sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | CM_mutant_H2O_sample | isotropic | sample_conditions_1 |
| 3D HNCACB | CM_mutant_H2O_sample | isotropic | sample_conditions_1 |
| 3D HNCO | CM_mutant_H2O_sample | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | CM_mutant_H2O_sample | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | CM_mutant_H2O_sample | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | CM_mutant_H2O_sample | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | CM_mutant_H2O_sample | isotropic | sample_conditions_1 |
| 3D C(CO)NH | CM_mutant_H2O_sample | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | CM_mutant_D2O_sample | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | CM_mutant_D2O_sample | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | CM_mutant_H2O_sample | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | CM_mutant_D2O_sample | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment, peak picking, processing
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 16634 17414 |
| PDB | |
| EMBL | CFR77613 CMM98736 |
| GB | EPZ65824 KAM73204 |
| REF | WP_049963343 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts