BMRB Entry 5601
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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/BMR5601
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Title: Complete 1H,13C,15N assignments of zinc Pyrococcus furiosus rubredoxin PubMed: 12693931
Deposition date: 2002-11-26 Original release date: 2003-05-14
Authors: Bougault, Catherine; Eidsness, Marly; Prestegard, James
Citation: Bougault, Catherine; Eidsness, Marly; Prestegard, James. "Hydrogen Bonds in Rubredoxins from Mesophilic and Hyperthermophilic Organisms" Biochemistry 42, 4357-4372 (2003).
Assembly members:
pyrococcus furiosus rubredoxin, polymer, 54 residues, 6443.68 Da.
pyrococcus furiosus rubredoxin, polymer, 54 residues, 6414.67 Da.
pyrococcus furiosus rubredoxin, polymer, 53 residues, 6277.52 Da.
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: Pyrococcus furiosus Taxonomy ID: 2261 Superkingdom: Archaea Kingdom: not available Genus/species: Pyrococcus furiosus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pEt T7
Entity Sequences (FASTA):
pyrococcus furiosus rubredoxin: XAKWVCKICGYIYDEDAGDP
DNGISPGTKFEELPDDWVCP
ICGAPKSEFEKLED
pyrococcus furiosus rubredoxin: MAKWVCKICGYIYDEDAGDP
DNGISPGTKFEELPDDWVCP
ICGAPKSEFEKLED
pyrococcus furiosus rubredoxin: AKWVCKICGYIYDEDAGDPD
NGISPGTKFEELPDDWVCPI
CGAPKSEFEKLED
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 476 |
| 15N chemical shifts | 159 |
| 13C chemical shifts | 550 |
| coupling constants | 108 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | fMetPfRdZn | 1 |
| 2 | Zn1 | 4 |
| 3 | MetPfRdZn | 2 |
| 4 | Zn2 | 4 |
| 5 | WT-PfRdZn | 3 |
| 6 | Zn3 | 4 |
Entities:
Entity 1, fMetPfRdZn 54 residues - 6443.68 Da.
| 1 | FME | ALA | LYS | TRP | VAL | CYS | LYS | ILE | CYS | GLY | ||||
| 2 | TYR | ILE | TYR | ASP | GLU | ASP | ALA | GLY | ASP | PRO | ||||
| 3 | ASP | ASN | GLY | ILE | SER | PRO | GLY | THR | LYS | PHE | ||||
| 4 | GLU | GLU | LEU | PRO | ASP | ASP | TRP | VAL | CYS | PRO | ||||
| 5 | ILE | CYS | GLY | ALA | PRO | LYS | SER | GLU | PHE | GLU | ||||
| 6 | LYS | LEU | GLU | ASP |
Entity 4, Zn1 - Zn - 65.409 Da.
| 1 | ZN |
Entity 2, MetPfRdZn 54 residues - 6414.67 Da.
| 1 | MET | ALA | LYS | TRP | VAL | CYS | LYS | ILE | CYS | GLY | ||||
| 2 | TYR | ILE | TYR | ASP | GLU | ASP | ALA | GLY | ASP | PRO | ||||
| 3 | ASP | ASN | GLY | ILE | SER | PRO | GLY | THR | LYS | PHE | ||||
| 4 | GLU | GLU | LEU | PRO | ASP | ASP | TRP | VAL | CYS | PRO | ||||
| 5 | ILE | CYS | GLY | ALA | PRO | LYS | SER | GLU | PHE | GLU | ||||
| 6 | LYS | LEU | GLU | ASP |
Entity 3, WT-PfRdZn 53 residues - 6277.52 Da.
| 1 | ALA | LYS | TRP | VAL | CYS | LYS | ILE | CYS | GLY | TYR | ||||
| 2 | ILE | TYR | ASP | GLU | ASP | ALA | GLY | ASP | PRO | ASP | ||||
| 3 | ASN | GLY | ILE | SER | PRO | GLY | THR | LYS | PHE | GLU | ||||
| 4 | GLU | LEU | PRO | ASP | ASP | TRP | VAL | CYS | PRO | ILE | ||||
| 5 | CYS | GLY | ALA | PRO | LYS | SER | GLU | PHE | GLU | LYS | ||||
| 6 | LEU | GLU | ASP |
Samples:
sample_1: pyrococcus furiosus rubredoxin, [U-100% 13C; U-100% 15N], 3.29 mM; pyrococcus furiosus rubredoxin, [U-100% 13C; U-100% 15N], 0.65 mM; pyrococcus furiosus rubredoxin, [U-100% 13C; U-100% 15N], 0.65 mM
Condition_1: pH: 6.44 na; temperature: 298 K; ionic strength: 0.29 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | sample_1 | not available | Condition_1 |
| 1H-13C HSQC | sample_1 | not available | Condition_1 |
| HNCO | sample_1 | not available | Condition_1 |
| HNCACB | sample_1 | not available | Condition_1 |
| HCACO | sample_1 | not available | Condition_1 |
| 1H-13C HSQC-TOCSY | sample_1 | not available | Condition_1 |
| 1H-13C HSQC-NOESY | sample_1 | not available | Condition_1 |
| (HB)CB(CGCD)HD | sample_1 | not available | Condition_1 |
| (HB)CB(CGCDCE)HE | sample_1 | not available | Condition_1 |
| HCCH-TOCSY | sample_1 | not available | Condition_1 |
| HCCO2 | sample_1 | not available | Condition_1 |
Software:
FELIX v2000 -
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Related Database Links:
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts