BMRB Entry 4954
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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/BMR4954
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: Truffault, Vincent; Coles, Murray; Diercks, Tammo; Abelmann, Kerstin; Eberhardt, Sabine; Luettgen, Holger; Bacher, Adelbert; Kessler, Horst. "The Solution Strucutre of the N-terminal Domain of Riboflavin Synthase" J. Mol. Biol. 309, 949-960 (2001).
Assembly members:
Riboflavin Synthase, polymer, 97 residues, Formula weight is not available
RIBOFLAVIN, non-polymer, 376.364 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Riboflavin Synthase: MFTGIVQGTAKLVSIDEKPN
FRTHVVELPDHMLDGLETGA
SVAHNGCCLTVTEINGNHVS
FDLMKETLRITNLGDLKVGD
WVNVERAAKFSDEIGGH
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 661 |
| 13C chemical shifts | 397 |
| 15N chemical shifts | 105 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Riboflavin Synthase subunit 1 | 1 |
| 2 | Riboflavin Synthase subunit 2 | 1 |
| 3 | Riboflavin 1 | 2 |
| 4 | Riboflavin 2 | 2 |
Entities:
Entity 1, Riboflavin Synthase subunit 1 97 residues - Formula weight is not available
| 1 | MET | PHE | THR | GLY | ILE | VAL | GLN | GLY | THR | ALA | ||||
| 2 | LYS | LEU | VAL | SER | ILE | ASP | GLU | LYS | PRO | ASN | ||||
| 3 | PHE | ARG | THR | HIS | VAL | VAL | GLU | LEU | PRO | ASP | ||||
| 4 | HIS | MET | LEU | ASP | GLY | LEU | GLU | THR | GLY | ALA | ||||
| 5 | SER | VAL | ALA | HIS | ASN | GLY | CYS | CYS | LEU | THR | ||||
| 6 | VAL | THR | GLU | ILE | ASN | GLY | ASN | HIS | VAL | SER | ||||
| 7 | PHE | ASP | LEU | MET | LYS | GLU | THR | LEU | ARG | ILE | ||||
| 8 | THR | ASN | LEU | GLY | ASP | LEU | LYS | VAL | GLY | ASP | ||||
| 9 | TRP | VAL | ASN | VAL | GLU | ARG | ALA | ALA | LYS | PHE | ||||
| 10 | SER | ASP | GLU | ILE | GLY | GLY | HIS |
Entity 2, Riboflavin 1 - C17 H20 N4 O6 - 376.364 Da.
| 1 | RBF |
Samples:
protein_labelled: Riboflavin Synthase, [U-13C; U-15N], 1.0 mM; RIBOFLAVINE mM
riboflavin_labelled: Riboflavin Synthase, [U-15N], 1.0 mM; RIBOFLAVINE, [U-13C; U-15N], mM
general: pH: 7.3; temperature: 300 K; ionic strength: 0.125 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 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 |
| HNHA | not available | not available | not available |
| HNHB | not available | not available | not available |
| HCACO | not available | not available | not available |
| HNCO | not available | not available | not available |
| HCCH-TOCSY | not available | not available | not available |
| CCH-COSY | not available | not available | not available |
| 1H-15N-NOESY | not available | not available | not available |
| 1H-13C-NOESY | not available | not available | not available |
| CNH-NOESY | not available | not available | not available |
| NNH-NOESY | not available | not available | not available |
| NCH-NOESY | not available | not available | not available |
| CCH-NOESY | not available | not available | not available |
| 2D-13C-filtered,12C-edited-NOESY | not available | not available | not available |
| 2D-12C-edited,13C-filtered-NOESY | not available | not available | not available |
Software:
PASTA - automatic sequential assignment
NMR spectrometers:
- Bruker DMX 600 MHz
- Bruker DMX 750 MHz
Related Database Links:
| PDB | |
| DBJ | BAA15429 BAB35794 BAG77310 BAI25639 BAI30613 |
| EMBL | CAA48861 CAP76161 CAQ32140 CAQ98571 CAR03023 |
| GB | AAB47940 AAC74734 AAG56651 AAN43269 AAN80516 |
| REF | NP_288098 NP_310398 NP_416179 NP_707562 NP_753951 |
| SP | P0AFU8 P0AFU9 |
| AlphaFold | P0AFU8 P0AFU9 P0AFU8 P0AFU9 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks