BMRB Entry 5600
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5600
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NMR-STAR v3 text file.
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Citation: Bougault, Catherine; Eidsness, Marly; Prestegard, James. "Hydrogen Bonds in Rubredoxins from Mesophilic and Hyperthermophilic Organisms" Biochemistry 42, 4357-4372 (2003).
PubMed: 12693931
Assembly members:
clostridium pasteurianum rubredoxin, polymer, 54 residues, 6461.58 Da.
clostridium pasteurianum rubredoxin, polymer, 54 residues, 6432.58 Da.
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: Clostridium pasteurianum Taxonomy ID: 1501 Superkingdom: Eubacteria Kingdom: not available Genus/species: Clostridium pasteurianum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pEt T7
Entity Sequences (FASTA):
clostridium pasteurianum rubredoxin: XKKYTCTVCGYIYNPEDGDP
DNGVNPGTDFKDIPDDWVCP
LCGVGKDQFEEVEE
clostridium pasteurianum rubredoxin: MKKYTCTVCGYIYNPEDGDP
DNGVNPGTDFKDIPDDWVCP
LCGVGKDQFEEVEE
- assigned_chemical_shifts
- coupling_constants
| Data type | Count |
| 1H chemical shifts | 371 |
| 15N chemical shifts | 111 |
| 13C chemical shifts | 310 |
| coupling constants | 108 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | fMetCpRdZn | 1 |
| 2 | Zn1 | 3 |
| 3 | MetCpRdZn | 2 |
| 4 | Zn2 | 3 |
Entities:
Entity 1, fMetCpRdZn 54 residues - 6461.58 Da.
| 1 | FME | LYS | LYS | TYR | THR | CYS | THR | VAL | CYS | GLY | ||||
| 2 | TYR | ILE | TYR | ASN | PRO | GLU | ASP | GLY | ASP | PRO | ||||
| 3 | ASP | ASN | GLY | VAL | ASN | PRO | GLY | THR | ASP | PHE | ||||
| 4 | LYS | ASP | ILE | PRO | ASP | ASP | TRP | VAL | CYS | PRO | ||||
| 5 | LEU | CYS | GLY | VAL | GLY | LYS | ASP | GLN | PHE | GLU | ||||
| 6 | GLU | VAL | GLU | GLU |
Entity 3, Zn1 - Zn - 65.409 Da.
| 1 | ZN |
Entity 2, MetCpRdZn 54 residues - 6432.58 Da.
| 1 | MET | LYS | LYS | TYR | THR | CYS | THR | VAL | CYS | GLY | ||||
| 2 | TYR | ILE | TYR | ASN | PRO | GLU | ASP | GLY | ASP | PRO | ||||
| 3 | ASP | ASN | GLY | VAL | ASN | PRO | GLY | THR | ASP | PHE | ||||
| 4 | LYS | ASP | ILE | PRO | ASP | ASP | TRP | VAL | CYS | PRO | ||||
| 5 | LEU | CYS | GLY | VAL | GLY | LYS | ASP | GLN | PHE | GLU | ||||
| 6 | GLU | VAL | GLU | GLU |
Samples:
sample_1: clostridium pasteurianum rubredoxin, [U-100% 13C; U-100% 15N], 1.5 – 2 mM; clostridium pasteurianum rubredoxin, [U-100% 13C; U-100% 15N], 0.3 – 1 mM; NaCl 200 mM; KH2PO4/K2HPO4 50 mM
Condition_1: pH: 6.25 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 peaks
SPARKY: Backbone
or all simulated peaks