BMRB Entry 6987
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6987
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Title: Backbone 1H, 13C, 15N, and 13CB Chemical Shift Assignments for Cyanide-Inhibited P. aeruginosa Heme Oxygenase PubMed: 16584193
Deposition date: 2006-02-14 Original release date: 2006-04-27
Authors: Rodriguez, Juan Carlos
Citation: Rodriguez, Juan Carlos; Wilks, Angela; Rivera, Mario. "Backbone NMR Assignments and H/D Exchange Studies on the Ferric Azide- and Cyanide-Inhibited Forms of Pseudomonas aeruginosa Heme Oxygenase" Biochemistry 45, 4578-4592 (2006).
Assembly members:
Cyanide-inhibited pa-HO, polymer, 198 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.
CYN, non-polymer, 26.017 Da.
Natural source: Common Name: Pseudomonas aeruginosa Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: Protista Genus/species: Pseudomonas aeruginosa
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Cyanide-inhibited pa-HO: MDTLAPESTRQNLRSQRLNL
LTNEPHQRLESLVKSKEPFA
SRDNFARFVAAQYLFQHDLE
PLYRNEALARLFPGLASRAR
DDAARADLADLGHPVPEGDQ
SVREADLSLAEALGWLFVSE
GSKLGAAFLFKKAAALELDE
NFGARHLAEPEGGRAQGWKS
FVAILDGIELNEEEERLAAK
GASDAFNRFGDLLERTFA
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 521 |
15N chemical shifts | 181 |
1H chemical shifts | 181 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | Heme oxygenase polypeptide | 1 |
2 | PROTOPORPHYRIN IX CONTAINING FE 1 | 2 |
3 | azide | 3 |
Entities:
Entity 1, Heme oxygenase polypeptide 198 residues - Formula weight is not available
1 | MET | ASP | THR | LEU | ALA | PRO | GLU | SER | THR | ARG | ||||
2 | GLN | ASN | LEU | ARG | SER | GLN | ARG | LEU | ASN | LEU | ||||
3 | LEU | THR | ASN | GLU | PRO | HIS | GLN | ARG | LEU | GLU | ||||
4 | SER | LEU | VAL | LYS | SER | LYS | GLU | PRO | PHE | ALA | ||||
5 | SER | ARG | ASP | ASN | PHE | ALA | ARG | PHE | VAL | ALA | ||||
6 | ALA | GLN | TYR | LEU | PHE | GLN | HIS | ASP | LEU | GLU | ||||
7 | PRO | LEU | TYR | ARG | ASN | GLU | ALA | LEU | ALA | ARG | ||||
8 | LEU | PHE | PRO | GLY | LEU | ALA | SER | ARG | ALA | ARG | ||||
9 | ASP | ASP | ALA | ALA | ARG | ALA | ASP | LEU | ALA | ASP | ||||
10 | LEU | GLY | HIS | PRO | VAL | PRO | GLU | GLY | ASP | GLN | ||||
11 | SER | VAL | ARG | GLU | ALA | ASP | LEU | SER | LEU | ALA | ||||
12 | GLU | ALA | LEU | GLY | TRP | LEU | PHE | VAL | SER | GLU | ||||
13 | GLY | SER | LYS | LEU | GLY | ALA | ALA | PHE | LEU | PHE | ||||
14 | LYS | LYS | ALA | ALA | ALA | LEU | GLU | LEU | ASP | GLU | ||||
15 | ASN | PHE | GLY | ALA | ARG | HIS | LEU | ALA | GLU | PRO | ||||
16 | GLU | GLY | GLY | ARG | ALA | GLN | GLY | TRP | LYS | SER | ||||
17 | PHE | VAL | ALA | ILE | LEU | ASP | GLY | ILE | GLU | LEU | ||||
18 | ASN | GLU | GLU | GLU | GLU | ARG | LEU | ALA | ALA | LYS | ||||
19 | GLY | ALA | SER | ASP | ALA | PHE | ASN | ARG | PHE | GLY | ||||
20 | ASP | LEU | LEU | GLU | ARG | THR | PHE | ALA |
Entity 2, PROTOPORPHYRIN IX CONTAINING FE 1 - C34 H32 Fe N4 O4 - 616.487 Da.
1 | HEM |
Entity 3, azide - C N - 26.017 Da.
1 | CYN |
Samples:
sample_1: Cyanide-inhibited pa-HO, [U-13C; U-15N], 2.4 mM; Cyanide 24 mM; Phosphates buffer 50 mM; H2O 95%; D2O 5%
conditions_1: pH: 7.0; temperature: 305 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
1H15N_Fast-HSQC | sample_1 | not available | conditions_1 |
HNCA | sample_1 | not available | conditions_1 |
HN(CO)CA | sample_1 | not available | conditions_1 |
HNCACB | sample_1 | not available | conditions_1 |
CBCA(CO)NH | sample_1 | not available | conditions_1 |
HNCO | sample_1 | not available | conditions_1 |
(HCA)CO(CA)NH | sample_1 | not available | conditions_1 |
15N-NOESY_HSQC | sample_1 | not available | conditions_1 |
Software:
No software information available
NMR spectrometers:
- Bruker Avance 800 MHz
- Varian Unity Inova 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts