BMRB Entry 19884
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19884
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Schilder, Jesika; Lohr, Frank; Schwalbe, Harald; Ubbink, Marcellus. "The cytochrome c peroxidase and cytochrome c encounter complex: The other side of the story." FEBS Lett. 588, 1873-1878 (2014).
PubMed: 24726731
Assembly members:
High_pH, polymer, 295 residues, 33643.3701 Da.
Natural source: Common Name: baker's yeast Taxonomy ID: 4932 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Saccharomyces cerevisiae
Experimental source: Production method: recombinant technology Host organism: Saccharomyces cerevisiae Vector: pET28aCcP
Entity Sequences (FASTA):
High_pH: MSKTLVHVASVEKGRSYEDF
QKVYNAIALKLREDDEYDNY
IGYGPVLVRLAWHTSGTWDK
HDNTGGSYGGTYRFKKEFND
PSNAGLQNGFKFLEPIHKEF
PWISSGDLFSLGGVTAVQEM
QGPKIPWRAGRVDTPEDTTP
DNGRLPDADKDADYVRTFFQ
RLNMNDREVVALMGAHALGK
THLKNSGYEGPWGAANNVFT
NEFYLNLLNEDWKLEKNDAN
NEQWDSKSGYMMLPTDYSLI
QDPKYLSIVKEYANDQDKFF
KDFSKAFEKLLENGITFPKD
APSPFIFKTLEEQGL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 757 |
| 15N chemical shifts | 240 |
| 1H chemical shifts | 240 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CcP High pH | 1 |
Entities:
Entity 1, CcP High pH 295 residues - 33643.3701 Da.
Residues 0 - 3 (MSKT) is not native; C128A mutation
| 1 | MET | SER | LYS | THR | LEU | VAL | HIS | VAL | ALA | SER | ||||
| 2 | VAL | GLU | LYS | GLY | ARG | SER | TYR | GLU | ASP | PHE | ||||
| 3 | GLN | LYS | VAL | TYR | ASN | ALA | ILE | ALA | LEU | LYS | ||||
| 4 | LEU | ARG | GLU | ASP | ASP | GLU | TYR | ASP | ASN | TYR | ||||
| 5 | ILE | GLY | TYR | GLY | PRO | VAL | LEU | VAL | ARG | LEU | ||||
| 6 | ALA | TRP | HIS | THR | SER | GLY | THR | TRP | ASP | LYS | ||||
| 7 | HIS | ASP | ASN | THR | GLY | GLY | SER | TYR | GLY | GLY | ||||
| 8 | THR | TYR | ARG | PHE | LYS | LYS | GLU | PHE | ASN | ASP | ||||
| 9 | PRO | SER | ASN | ALA | GLY | LEU | GLN | ASN | GLY | PHE | ||||
| 10 | LYS | PHE | LEU | GLU | PRO | ILE | HIS | LYS | GLU | PHE | ||||
| 11 | PRO | TRP | ILE | SER | SER | GLY | ASP | LEU | PHE | SER | ||||
| 12 | LEU | GLY | GLY | VAL | THR | ALA | VAL | GLN | GLU | MET | ||||
| 13 | GLN | GLY | PRO | LYS | ILE | PRO | TRP | ARG | ALA | GLY | ||||
| 14 | ARG | VAL | ASP | THR | PRO | GLU | ASP | THR | THR | PRO | ||||
| 15 | ASP | ASN | GLY | ARG | LEU | PRO | ASP | ALA | ASP | LYS | ||||
| 16 | ASP | ALA | ASP | TYR | VAL | ARG | THR | PHE | PHE | GLN | ||||
| 17 | ARG | LEU | ASN | MET | ASN | ASP | ARG | GLU | VAL | VAL | ||||
| 18 | ALA | LEU | MET | GLY | ALA | HIS | ALA | LEU | GLY | LYS | ||||
| 19 | THR | HIS | LEU | LYS | ASN | SER | GLY | TYR | GLU | GLY | ||||
| 20 | PRO | TRP | GLY | ALA | ALA | ASN | ASN | VAL | PHE | THR | ||||
| 21 | ASN | GLU | PHE | TYR | LEU | ASN | LEU | LEU | ASN | GLU | ||||
| 22 | ASP | TRP | LYS | LEU | GLU | LYS | ASN | ASP | ALA | ASN | ||||
| 23 | ASN | GLU | GLN | TRP | ASP | SER | LYS | SER | GLY | TYR | ||||
| 24 | MET | MET | LEU | PRO | THR | ASP | TYR | SER | LEU | ILE | ||||
| 25 | GLN | ASP | PRO | LYS | TYR | LEU | SER | ILE | VAL | LYS | ||||
| 26 | GLU | TYR | ALA | ASN | ASP | GLN | ASP | LYS | PHE | PHE | ||||
| 27 | LYS | ASP | PHE | SER | LYS | ALA | PHE | GLU | LYS | LEU | ||||
| 28 | LEU | GLU | ASN | GLY | ILE | THR | PHE | PRO | LYS | ASP | ||||
| 29 | ALA | PRO | SER | PRO | PHE | ILE | PHE | LYS | THR | LEU | ||||
| 30 | GLU | GLU | GLN | GLY | LEU |
Samples:
CcP_NMR_sample: High_pH, [U-100% 13C; U-100% 15N; U-80% 2H], 0.4 mM; NaCl 100 mM; NaPi 20 mM
ccp_assignment: ionic strength: 100.000 mM; pH: 6.000; pressure: 1.000 atm; temperature: 293.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC/HMQC | CcP_NMR_sample | isotropic | ccp_assignment |
| 3D HNCACB | CcP_NMR_sample | isotropic | ccp_assignment |
| 3D HNCA | CcP_NMR_sample | isotropic | ccp_assignment |
| BESTTR_HN(Ca)CO_950 (H[N[ca[CO]]]) | CcP_NMR_sample | isotropic | ccp_assignment |
| BESTTR_HNCO_950 (H[N[trho(N)][CO]]) | CcP_NMR_sample | isotropic | ccp_assignment |
| 3D HN(CO)CA | CcP_NMR_sample | isotropic | ccp_assignment |
| BESTTR_HN(COCa)Cb_600 (H[N[co[{CA|ca[C]}]]]) | CcP_NMR_sample | isotropic | ccp_assignment |
Software:
CcpNmr_Analysis v2.1, CCPN - assignment
Topspin v3.1, Bruker - processing
NMR spectrometers:
- Bruker Avance 950 MHz
- Bruker Avance 600 MHz
Related Database Links:
| Uniprot | P00431 |
| BMRB | 1839 19004 19005 19075 19076 25551 |
| PDB | |
| DBJ | GAA24787 |
| EMBL | CAA44288 CAA82145 CAY81144 |
| GB | AAA88709 AAS56247 AHY76301 AJP40095 AJS30293 |
| REF | NP_012992 |
| SP | P00431 |
| TPG | DAA09217 |
| AlphaFold | Q6Q5M9 P00431 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks