BMRB Entry 26750
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR26750
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Title: Cytochrome P450 MycG PubMed: 28488849
Deposition date: 2016-02-29 Original release date: 2017-08-11
Authors: Tietz, Drew; Pochapsky, Thomas
Citation: Tietz, Drew; Podust, Larissa; Sherman, David; Pochapsky, Thomas. "Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG" Biochemistry 56, 2701-2714 (2017).
Assembly members:
MycG, polymer, 397 residues, Formula weight is not available
PROTOPORPHYRIN IX CONTAINING FE, non-polymer, 616.487 Da.
MYCINAMICIN IV, non-polymer, 695.880 Da.
Natural source: Common Name: high GC Gram+ Taxonomy ID: 28040 Superkingdom: Bacteria Kingdom: not available Genus/species: Micromonospora griseorubida
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pDNC
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 561 |
| 15N chemical shifts | 285 |
| 1H chemical shifts | 288 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MycG | 1 |
| 2 | Heme | 2 |
| 3 | Mycinamicin IV | 3 |
Entities:
Entity 1, MycG 397 residues - Formula weight is not available
| 1 | MET | THR | SER | ALA | GLU | PRO | ARG | ALA | TYR | PRO | ||||
| 2 | PHE | ASN | ASP | VAL | HIS | GLY | LEU | THR | LEU | ALA | ||||
| 3 | GLY | ARG | TYR | GLY | GLU | LEU | GLN | GLU | THR | GLU | ||||
| 4 | PRO | VAL | SER | ARG | VAL | ARG | PRO | PRO | TYR | GLY | ||||
| 5 | GLU | GLU | ALA | TRP | LEU | VAL | THR | ARG | TYR | GLU | ||||
| 6 | ASP | VAL | ARG | ALA | VAL | LEU | GLY | ASP | GLY | ARG | ||||
| 7 | PHE | VAL | ARG | GLY | PRO | SER | MET | THR | ARG | ASP | ||||
| 8 | GLU | PRO | ARG | THR | ARG | PRO | GLU | MET | VAL | LYS | ||||
| 9 | GLY | GLY | LEU | LEU | SER | MET | ASP | PRO | PRO | GLU | ||||
| 10 | HIS | SER | ARG | LEU | ARG | ARG | LEU | VAL | VAL | LYS | ||||
| 11 | ALA | PHE | THR | ALA | ARG | ARG | ALA | GLU | SER | LEU | ||||
| 12 | ARG | PRO | ARG | ALA | ARG | GLU | ILE | ALA | HIS | GLU | ||||
| 13 | LEU | VAL | ASP | GLN | MET | ALA | ALA | THR | GLY | GLN | ||||
| 14 | PRO | ALA | ASP | LEU | VAL | ALA | MET | PHE | ALA | ARG | ||||
| 15 | GLN | LEU | PRO | VAL | ARG | VAL | ILE | CYS | GLU | LEU | ||||
| 16 | LEU | GLY | VAL | PRO | SER | ALA | ASP | HIS | ASP | ARG | ||||
| 17 | PHE | THR | ARG | TRP | SER | GLY | ALA | PHE | LEU | SER | ||||
| 18 | THR | ALA | GLU | VAL | THR | ALA | GLU | GLU | MET | GLN | ||||
| 19 | GLU | ALA | ALA | GLU | GLN | ALA | TYR | ALA | TYR | MET | ||||
| 20 | GLY | ASP | LEU | ILE | ASP | ARG | ARG | ARG | LYS | GLU | ||||
| 21 | PRO | THR | ASP | ASP | LEU | VAL | SER | ALA | LEU | VAL | ||||
| 22 | GLN | ALA | ARG | ASP | GLN | GLN | ASP | SER | LEU | SER | ||||
| 23 | GLU | GLN | GLU | LEU | LEU | ASP | LEU | ALA | ILE | GLY | ||||
| 24 | LEU | LEU | VAL | ALA | GLY | TYR | GLU | SER | THR | THR | ||||
| 25 | THR | GLN | ILE | ALA | ASP | PHE | VAL | TYR | LEU | LEU | ||||
| 26 | MET | THR | ARG | PRO | GLU | LEU | ARG | ARG | GLN | LEU | ||||
| 27 | LEU | ASP | ARG | PRO | GLU | LEU | ILE | PRO | SER | ALA | ||||
| 28 | VAL | GLU | GLU | LEU | THR | ARG | TRP | VAL | PRO | LEU | ||||
| 29 | GLY | VAL | GLY | THR | ALA | PHE | PRO | ARG | TYR | ALA | ||||
| 30 | VAL | GLU | ASP | VAL | THR | LEU | ARG | GLY | VAL | THR | ||||
| 31 | ILE | ARG | ALA | GLY | GLU | PRO | VAL | LEU | ALA | SER | ||||
| 32 | THR | GLY | ALA | ALA | ASN | ARG | ASP | GLN | ALA | GLN | ||||
| 33 | PHE | PRO | ASP | ALA | ASP | ARG | ILE | ASP | VAL | ASP | ||||
| 34 | ARG | THR | PRO | ASN | GLN | HIS | LEU | GLY | PHE | GLY | ||||
| 35 | HIS | GLY | VAL | HIS | HIS | CYS | LEU | GLY | ALA | PRO | ||||
| 36 | LEU | ALA | ARG | VAL | GLU | LEU | GLN | VAL | ALA | LEU | ||||
| 37 | GLU | VAL | LEU | LEU | GLN | ARG | LEU | PRO | GLY | ILE | ||||
| 38 | ARG | LEU | GLY | ILE | PRO | GLU | THR | GLN | LEU | ARG | ||||
| 39 | TRP | SER | GLU | GLY | MET | LEU | LEU | ARG | GLY | PRO | ||||
| 40 | LEU | GLU | LEU | PRO | VAL | VAL | TRP |
Entity 2, Heme - 616.487 Da.
| 1 | HEM |
Entity 3, Mycinamicin IV - 695.880 Da.
| 1 | MIV |
Samples:
sample_1: MycG, [U-13C; U-15N; U-2H], 0.4 mM; Heme 0.4 mM; mycinamycin IV 0.4 mM; H2O 90%; D2O 10%
sample_2: MycG, [U-13C; U-15N; U-2H], 0.4 mM; Heme 0.4 mM; mycinamycin IV 0.4 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.2 M; pH: 7.4; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0.2 M; pH: 7.4; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_2 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_2 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_2 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_2 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_2 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts