BMRB Entry 5081
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5081
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Title: 1H, 15N and 13C resonance assignments for the Gallium protoporphyrin IX-HasAsm hemophore complex
Deposition date: 2001-07-16 Original release date: 2001-11-07
Authors: Deniau, Clarisse; Couprie, Joel; Simenel, Catherine; Kumar, Vera; Stojiljkovic, Igor; Wandersman, Cecile; Delepierre, Muriel; Lecroisey, Anne
Citation: Deniau, Clarisse; Couprie, Joel; Simenel, Catherine; Kumar, Vera; Stojiljkovic, Igor; Wandersman, Cecile; Delepierre, Muriel; Lecroisey, Anne. "Letter to the Editor: 1H, 15N and 13C resonance assignments for the Gallium protoporphyrin IX-HasAsm hemophore complex" J. Biomol. NMR 21, 189-190 (2001).
Assembly members:
HasAsm, polymer, 178 residues, 18915 Da.
GIX, non-polymer, 630.365 Da.
Natural source: Common Name: Serratia marcescens Taxonomy ID: 615 Superkingdom: Eubacteria Kingdom: not available Genus/species: Serratia marcescens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
HasAsm: AFSVNYDSSFGGYSIHDYLG
QWASTFGDVNHTNGNVTDAN
SGGFYGGSLSGSQYAISSTA
NQVTAFVAGGNLTYTLFNEP
AHTLYGQLDSLSFGDGLSGG
DTSPYSIQVPDVSFGGLNLS
SLQAQGHDGVVHQVVYGLMS
GDTGALETALNGILDDYGLS
VNSTFDQVAAATAVGVQH
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 375 |
| 13C chemical shifts | 504 |
| 15N chemical shifts | 173 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | GaPPIX | 2 |
| 2 | HasAsm | 1 |
Entities:
Entity 2, GaPPIX - C34 H32 Ga N4 O4 - 630.365 Da.
| 1 | GIX |
Entity 1, HasAsm 178 residues - 18915 Da.
| 1 | ALA | PHE | SER | VAL | ASN | TYR | ASP | SER | SER | PHE | ||||
| 2 | GLY | GLY | TYR | SER | ILE | HIS | ASP | TYR | LEU | GLY | ||||
| 3 | GLN | TRP | ALA | SER | THR | PHE | GLY | ASP | VAL | ASN | ||||
| 4 | HIS | THR | ASN | GLY | ASN | VAL | THR | ASP | ALA | ASN | ||||
| 5 | SER | GLY | GLY | PHE | TYR | GLY | GLY | SER | LEU | SER | ||||
| 6 | GLY | SER | GLN | TYR | ALA | ILE | SER | SER | THR | ALA | ||||
| 7 | ASN | GLN | VAL | THR | ALA | PHE | VAL | ALA | GLY | GLY | ||||
| 8 | ASN | LEU | THR | TYR | THR | LEU | PHE | ASN | GLU | PRO | ||||
| 9 | ALA | HIS | THR | LEU | TYR | GLY | GLN | LEU | ASP | SER | ||||
| 10 | LEU | SER | PHE | GLY | ASP | GLY | LEU | SER | GLY | GLY | ||||
| 11 | ASP | THR | SER | PRO | TYR | SER | ILE | GLN | VAL | PRO | ||||
| 12 | ASP | VAL | SER | PHE | GLY | GLY | LEU | ASN | LEU | SER | ||||
| 13 | SER | LEU | GLN | ALA | GLN | GLY | HIS | ASP | GLY | VAL | ||||
| 14 | VAL | HIS | GLN | VAL | VAL | TYR | GLY | LEU | MET | SER | ||||
| 15 | GLY | ASP | THR | GLY | ALA | LEU | GLU | THR | ALA | LEU | ||||
| 16 | ASN | GLY | ILE | LEU | ASP | ASP | TYR | GLY | LEU | SER | ||||
| 17 | VAL | ASN | SER | THR | PHE | ASP | GLN | VAL | ALA | ALA | ||||
| 18 | ALA | THR | ALA | VAL | GLY | VAL | GLN | HIS |
Samples:
sample_1: HasAsm, [U-95% 13C; U-95% 15N], 2.0 mM; protoporphyrin IX containing Gallium 2.0 mM; Na2HPO4 20 mM; NaH2PO4 20 mM
Ex-cond: pH: 5.6; temperature: 303 K; ionic strength: 0.02 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | sample_1 | not available | Ex-cond |
| HNCO | sample_1 | not available | Ex-cond |
| HNCACB | sample_1 | not available | Ex-cond |
| CBCA(CO)NH | sample_1 | not available | Ex-cond |
Software:
NMRpipe - processing
XEASY v1.2 - analysis
NMR spectrometers:
- Varian Unity 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts