BMRB Entry 27211
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27211
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: Gauto, Diego; Estrozi, Leandro; Schwieters, Charles; Effantin, Gregory; Macek, Pavel; Sounier, Remy; Sivertsen, Astrid; Schmidt, Elena; Kerfah, Rime; Mas, Guillaume; Colletier, Jacques-Philippe; Guntert, Peter; Favier, Adrien; Schoehn, Guy; Schanda, Paul; Boisbouvier, Jerome. "Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex" Nat. Commun. 10, 2697-2697 (2019).
PubMed: 31217444
Assembly members:
TET, polymer, 353 residues, 39015.9784 Da.
Natural source: Common Name: Pyrococcus horikoshii Taxonomy ID: 53953 Superkingdom: Archaea Kingdom: Euryarchaeota Genus/species: Pyrococcus horikoshii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 1080 |
| 15N chemical shifts | 289 |
| 1H chemical shifts | 149 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TET | 1 |
Entities:
Entity 1, TET 353 residues - 39015.9784 Da.
| 1 | MET | GLU | VAL | ARG | ASN | MET | VAL | ASP | TYR | GLU | ||||
| 2 | LEU | LEU | LYS | LYS | VAL | VAL | GLU | ALA | PRO | GLY | ||||
| 3 | VAL | SER | GLY | TYR | GLU | PHE | LEU | GLY | ILE | ARG | ||||
| 4 | ASP | VAL | VAL | ILE | GLU | GLU | ILE | LYS | ASP | TYR | ||||
| 5 | VAL | ASP | GLU | VAL | LYS | VAL | ASP | LYS | LEU | GLY | ||||
| 6 | ASN | VAL | ILE | ALA | HIS | LYS | LYS | GLY | GLU | GLY | ||||
| 7 | PRO | LYS | VAL | MET | ILE | ALA | ALA | HIS | MET | ASP | ||||
| 8 | GLN | ILE | GLY | LEU | MET | VAL | THR | HIS | ILE | GLU | ||||
| 9 | LYS | ASN | GLY | PHE | LEU | ARG | VAL | ALA | PRO | ILE | ||||
| 10 | GLY | GLY | VAL | ASP | PRO | LYS | THR | LEU | ILE | ALA | ||||
| 11 | GLN | ARG | PHE | LYS | VAL | TRP | ILE | ASP | LYS | GLY | ||||
| 12 | LYS | PHE | ILE | TYR | GLY | VAL | GLY | ALA | SER | VAL | ||||
| 13 | PRO | PRO | HIS | ILE | GLN | LYS | PRO | GLU | ASP | ARG | ||||
| 14 | LYS | LYS | ALA | PRO | ASP | TRP | ASP | GLN | ILE | PHE | ||||
| 15 | ILE | ASP | ILE | GLY | ALA | GLU | SER | LYS | GLU | GLU | ||||
| 16 | ALA | GLU | ASP | MET | GLY | VAL | LYS | ILE | GLY | THR | ||||
| 17 | VAL | ILE | THR | TRP | ASP | GLY | ARG | LEU | GLU | ARG | ||||
| 18 | LEU | GLY | LYS | HIS | ARG | PHE | VAL | SER | ILE | ALA | ||||
| 19 | PHE | ASP | ASP | ARG | ILE | ALA | VAL | TYR | THR | ILE | ||||
| 20 | LEU | GLU | VAL | ALA | LYS | GLN | LEU | LYS | ASP | ALA | ||||
| 21 | LYS | ALA | ASP | VAL | TYR | PHE | VAL | ALA | THR | VAL | ||||
| 22 | GLN | GLU | GLU | VAL | GLY | LEU | ARG | GLY | ALA | ARG | ||||
| 23 | THR | SER | ALA | PHE | GLY | ILE | GLU | PRO | ASP | TYR | ||||
| 24 | GLY | PHE | ALA | ILE | ASP | VAL | THR | ILE | ALA | ALA | ||||
| 25 | ASP | ILE | PRO | GLY | THR | PRO | GLU | HIS | LYS | GLN | ||||
| 26 | VAL | THR | HIS | LEU | GLY | LYS | GLY | THR | ALA | ILE | ||||
| 27 | LYS | ILE | MET | ASP | ARG | SER | VAL | ILE | CYS | HIS | ||||
| 28 | PRO | THR | ILE | VAL | ARG | TRP | LEU | GLU | GLU | LEU | ||||
| 29 | ALA | LYS | LYS | HIS | GLU | ILE | PRO | TYR | GLN | LEU | ||||
| 30 | GLU | ILE | LEU | LEU | GLY | GLY | GLY | THR | ASP | ALA | ||||
| 31 | GLY | ALA | ILE | HIS | LEU | THR | LYS | ALA | GLY | VAL | ||||
| 32 | PRO | THR | GLY | ALA | LEU | SER | VAL | PRO | ALA | ARG | ||||
| 33 | TYR | ILE | HIS | SER | ASN | THR | GLU | VAL | VAL | ASP | ||||
| 34 | GLU | ARG | ASP | VAL | ASP | ALA | THR | VAL | GLU | LEU | ||||
| 35 | MET | THR | LYS | ALA | LEU | GLU | ASN | ILE | HIS | GLU | ||||
| 36 | LEU | LYS | ILE |
Samples:
sample_2: TRIS 50 ± 5 mM; sodium chloride 20 ± 1 mM; TET, [U-13C; U-15N; U-2H], 50 ± 10 % w/w
sample_ILV: TRIS 50 ± 5 mM; sodium chloride 20 ± 1 mM; TET, 13C,15N at Ile, Leu, Val, 50 ± 10 % w/w
sample_LKP: TRIS 50 ± 5 mM; sodium chloride 20 ± 1 mM; TET, 13C,15N at Leu, Lys, Pro, 50 ± 10 % w/w
sample_GYFR: TRIS 50 ± 5 mM; sodium chloride 20 ± 1 mM; TET, 13C,15N at Gly, Tyr, Phe, Arg, 50 ± 10 % w/w
sample_1: TRIS 50 ± 5 mM; sodium chloride 20 ± 1 mM; TET, [U-99% 13C; U-99% 15N], 50 ± 10 % w/w
sample_conditions_1: ionic strength: 0.07 M; pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| CCdream (CC) | sample_1 | isotropic | sample_conditions_1 |
| CANCO (hCANCO) | sample_1 | isotropic | sample_conditions_1 |
| Expt_3 (hCA[N]) | sample_1 | isotropic | sample_conditions_1 |
| NCO (hNCO) | sample_1 | isotropic | sample_conditions_1 |
| CC_ILV (CC) | sample_ILV | isotropic | sample_conditions_1 |
| ILV_NCA (hCA[N]) | sample_1 | isotropic | sample_conditions_1 |
| ILV_coNCA (hCA[N]) | sample_ILV | isotropic | sample_conditions_1 |
| 1D_13C (C) | sample_1 | isotropic | sample_conditions_1 |
| HCC (H[C[C]]) | sample_1 | isotropic | sample_conditions_1 |
| NCA_on (hCA[N]) | sample_1 | isotropic | sample_conditions_1 |
| NCOCX (NCOCA) | sample_1 | isotropic | sample_conditions_1 |
| ILV_NCO (hNCO) | sample_ILV | isotropic | sample_conditions_1 |
| CANcoCX (ca_NCO_C.onebond,relayed) | sample_1 | isotropic | sample_conditions_1 |
| NCO_1000MHz (hNCO) | sample_1 | isotropic | sample_conditions_1 |
| NCA_1000MHz (hCA[N]) | sample_1 | isotropic | sample_conditions_1 |
| NCACX_1000MHz (N_CA_C.onebond,relayed) | sample_1 | isotropic | sample_conditions_1 |
| NCACB_Lp (N_CA_CB.onebond,relayed-alternate) | sample_1 | isotropic | sample_conditions_1 |
| 4D_CANCOCX (CA_NCO_C.onebond,relayed) | sample_1 | isotropic | sample_conditions_1 |
| DARR_600MHz (C_C.through-space) | sample_1 | isotropic | sample_conditions_1 |
| ILV_NCACX (NCO_C.relayed) | sample_ILV | isotropic | sample_conditions_1 |
| NCOCX_GHz (NCO_C.relayed) | sample_1 | isotropic | sample_conditions_1 |
| ILV_NCOCX (NCO_C.relayed) | sample_ILV | isotropic | sample_conditions_1 |
| 4D_CB | sample_1 | isotropic | sample_conditions_1 |
| NCA_longCP (hCA[N]) | sample_1 | isotropic | sample_conditions_1 |
| NCO_longCP (CO[N]) | sample_1 | isotropic | sample_conditions_1 |
| NCACX_longCP (N_CA_C.onebond,relayed) | sample_1 | isotropic | sample_conditions_1 |
| NCA_LKP (N_CA.onebond) | sample_LKP | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_2 | isotropic | sample_conditions_1 |
| 3D hCANH | sample_2 | isotropic | sample_conditions_1 |
| 3D hCONH | sample_2 | isotropic | sample_conditions_1 |
| 3D hcaCBcaNH | sample_2 | isotropic | sample_conditions_1 |
| 3D hcoCAcoNH | sample_2 | isotropic | sample_conditions_1 |
| coNCA_LKP | sample_LKP | isotropic | sample_conditions_1 |
| LKP_NCAshort | sample_LKP | isotropic | sample_conditions_1 |
| NCA | sample_GYFR | isotropic | sample_conditions_1 |
| coNCA | sample_GYFR | isotropic | sample_conditions_1 |
Software:
CcpNmr_Analysis v2.1, CCPN - chemical shift assignment
NMR spectrometers:
- Varian UnityPlus 600 MHz
- Bruker Avance 1000 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks