BMRB Entry 5466
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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/BMR5466
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Title: Structural model for an alkaline form of ferricytochrome c PubMed: 12617658
Deposition date: 2002-07-16 Original release date: 2003-04-23
Authors: Assfalg, M.; Bertini, I.; Dolfi, A.; Turano, P.; Mauk, A.; Rosell, F.; Gray, H.
Citation: Assfalg, M.; Bertini, I.; Dolfi, A.; Turano, P.; Mauk, A.; Rosell, F.; Gray, H.. "Structural Model for an Alkaline form of Ferricytochrome C" J. Am. Chem. Soc. 125, 2913-2922 (2003).
Assembly members:
Cytochrome c, iso-1, polymer, 95 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.
Natural source: Common Name: baker Taxonomy ID: 4932 Superkingdom: not available Kingdom: not available Genus/species: Eukaryota Fungi
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Cytochrome c, iso-1: LFKTRCLQCHTVEKGGPHKV
GPNLHGIFGRHSGQAEGYSY
TDANIKKNVLWDENNMSEYL
TNPAKYIPGTAMAFGGLKKE
KDRNDLITYLKKATE
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 72 |
| 1H chemical shifts | 414 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Cytochrome c, iso-1 | 1 |
| 2 | HEME C reduced | 2 |
Entities:
Entity 1, Cytochrome c, iso-1 95 residues - Formula weight is not available
| 1 | LEU | PHE | LYS | THR | ARG | CYS | LEU | GLN | CYS | HIS | ||||
| 2 | THR | VAL | GLU | LYS | GLY | GLY | PRO | HIS | LYS | VAL | ||||
| 3 | GLY | PRO | ASN | LEU | HIS | GLY | ILE | PHE | GLY | ARG | ||||
| 4 | HIS | SER | GLY | GLN | ALA | GLU | GLY | TYR | SER | TYR | ||||
| 5 | THR | ASP | ALA | ASN | ILE | LYS | LYS | ASN | VAL | LEU | ||||
| 6 | TRP | ASP | GLU | ASN | ASN | MET | SER | GLU | TYR | LEU | ||||
| 7 | THR | ASN | PRO | ALA | LYS | TYR | ILE | PRO | GLY | THR | ||||
| 8 | ALA | MET | ALA | PHE | GLY | GLY | LEU | LYS | LYS | GLU | ||||
| 9 | LYS | ASP | ARG | ASN | ASP | LEU | ILE | THR | TYR | LEU | ||||
| 10 | LYS | LYS | ALA | THR | GLU |
Entity 2, HEME C reduced - C34 H32 Fe N4 O4 - 616.487 Da.
| 1 | HEM |
Samples:
sample_1: Cytochrome c, iso-1 2 mM; PROTOPORPHYRIN IX CONTAINING FE mM; phosphate buffer 50 mM; H2O 90%; D2O 10%
sample_cond_1: ionic strength: 50 mM; pH: 11.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | sample_1 | not available | sample_cond_1 |
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| 3D 15N-separated NOESY | sample_1 | not available | sample_cond_1 |
Software:
DYANA v1.5 - structure solution
CORMA - iterative matrix relaxation
AMBER v6.0 - refinement
NMR spectrometers:
- Bruker DRX 800 MHz
Related Database Links:
| PDB |
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