BMRB Entry 17848
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17848
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Title: Backbone 1H, 13C, and 15N chemical shift assignments of reduced horse heart cytochrome c PubMed: 22318343
Deposition date: 2011-08-09 Original release date: 2012-03-14
Authors: Volkov, Alexander; Van de Water, Karen; Vanwetswinkel, Sophie; van Nuland, Nico
Citation: Volkov, Alexander; Vanwetswinkel, Sophie; Van de Water, Karen; van Nuland, Nico. "Redox-dependent conformational changes in eukaryotic cytochromes revealed by paramagnetic NMR spectroscopy" J. Biomol. NMR 52, 245-256 (2012).
Assembly members:
hCc, polymer, 104 residues, Formula weight is not available
HEC, non-polymer, 618.503 Da.
Natural source: Common Name: horse Taxonomy ID: 9796 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Equus caballus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
hCc: GDVEKGKKIFVQKCAQCHTV
EKGGKHKTGPNLHGLFGRKT
GQAPGFTYTDANKNKGITWK
EETLMEYLENPKKYIPGTKM
IFAGIKKKTEREDLIAYLKK
ATNE
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 302 |
15N chemical shifts | 210 |
1H chemical shifts | 226 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | hCc | 1 |
2 | HEC | 2 |
Entities:
Entity 1, hCc 104 residues - Formula weight is not available
1 | GLY | ASP | VAL | GLU | LYS | GLY | LYS | LYS | ILE | PHE | ||||
2 | VAL | GLN | LYS | CYS | ALA | GLN | CYS | HIS | THR | VAL | ||||
3 | GLU | LYS | GLY | GLY | LYS | HIS | LYS | THR | GLY | PRO | ||||
4 | ASN | LEU | HIS | GLY | LEU | PHE | GLY | ARG | LYS | THR | ||||
5 | GLY | GLN | ALA | PRO | GLY | PHE | THR | TYR | THR | ASP | ||||
6 | ALA | ASN | LYS | ASN | LYS | GLY | ILE | THR | TRP | LYS | ||||
7 | GLU | GLU | THR | LEU | MET | GLU | TYR | LEU | GLU | ASN | ||||
8 | PRO | LYS | LYS | TYR | ILE | PRO | GLY | THR | LYS | MET | ||||
9 | ILE | PHE | ALA | GLY | ILE | LYS | LYS | LYS | THR | GLU | ||||
10 | ARG | GLU | ASP | LEU | ILE | ALA | TYR | LEU | LYS | LYS | ||||
11 | ALA | THR | ASN | GLU |
Entity 2, HEC - C34 H34 Fe N4 O4 - 618.503 Da.
1 | HEC |
Samples:
sample_1: hCc, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; sodium chloride 100 mM; H2O 95%; D2O 5%
sample_2: hCc, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 115 mM; pH: 6.0; pressure: 1 atm; temperature: 303 K
sample_conditions_2: ionic strength: 15 mM; pH: 6.0; pressure: 1 atm; temperature: 303 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_2 |
3D NOESY-HSQC | sample_2 | isotropic | sample_conditions_2 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Analysis, CCPN - chemical shift assignment
NMR spectrometers:
- Varian Uniform NMR System 800 MHz
- Varian Uniform NMR System 600 MHz
Related Database Links:
BMRB | 1058 1107 1108 1109 1110 1111 1112 1113 1114 1116 1170 1171 1404 16759 17120 17340 1736 1783 17847 1785 1787 1789 216 220 224 2366 2367 2368 243 244 25640 274 285 286 316 317 336 4189 436 437 438 439 |
PDB | |
GB | AAB33495 AAI05398 AAX77008 ABA06541 AEB61027 |
PRF | 610169A 711086A |
REF | NP_001039526 NP_001123442 NP_001157486 XP_004007999 XP_004418964 |
SP | P00004 P62894 P62895 P62896 P68096 |
TPG | DAA30512 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts