BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 6983

Title: 'Backbone 1H, 13C, 15N, and 13CB Chemical Shift Assignments for Azide-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:
Azide-inhibited pa-HO, polymer, 198 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.
AZI, non-polymer, 42.020 Da.

Natural source:   Common Name: not available   Taxonomy ID: 287   Superkingdom: not available   Kingdom: Pseudomonas   Genus/species: aeruginosa not available

Experimental source:   Production method: recombinant technology' . 'E. coli   Host organism: BL21(DE3)

Entity Sequences (FASTA):
Azide-inhibited pa-HO: MDTLAPESTRQNLRSQRLNL LTNEPHQRLESLVKSKEPFA SRDNFARFVAAQYLFQHDLE PLYRNEALARLFPGLASRAR DDAARADLADLGHPVPEGDQ SVREADLSLAEALGWLFVSE GSKLGAAFLFKKAAALELDE NFGARHLAEPEGGRAQGWKS FVAILDGIELNEEEERLAAK GASDAFNRFGDLLERTFA

Data sets:
Data typeCount
13C chemical shifts511
15N chemical shifts181
1H chemical shifts180

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Azide-inhibited heme-heme oxygenase from P. aeruginosa1
2PROTOPORPHYRIN IX CONTAINING FE 12
3azide3

Entities:

Entity 1, Azide-inhibited heme-heme oxygenase from P. aeruginosa 198 residues - Formula weight is not available

1   METASPTHRLEUALAPROGLUSERTHRARG
2   GLNASNLEUARGSERGLNARGLEUASNLEU
3   LEUTHRASNGLUPROHISGLNARGLEUGLU
4   SERLEUVALLYSSERLYSGLUPROPHEALA
5   SERARGASPASNPHEALAARGPHEVALALA
6   ALAGLNTYRLEUPHEGLNHISASPLEUGLU
7   PROLEUTYRARGASNGLUALALEUALAARG
8   LEUPHEPROGLYLEUALASERARGALAARG
9   ASPASPALAALAARGALAASPLEUALAASP
10   LEUGLYHISPROVALPROGLUGLYASPGLN
11   SERVALARGGLUALAASPLEUSERLEUALA
12   GLUALALEUGLYTRPLEUPHEVALSERGLU
13   GLYSERLYSLEUGLYALAALAPHELEUPHE
14   LYSLYSALAALAALALEUGLULEUASPGLU
15   ASNPHEGLYALAARGHISLEUALAGLUPRO
16   GLUGLYGLYARGALAGLNGLYTRPLYSSER
17   PHEVALALAILELEUASPGLYILEGLULEU
18   ASNGLUGLUGLUGLUARGLEUALAALALYS
19   GLYALASERASPALAPHEASNARGPHEGLY
20   ASPLEULEUGLUARGTHRPHEALA

Entity 2, PROTOPORPHYRIN IX CONTAINING FE 1 - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Entity 3, azide - N3 - 42.020 Da.

1   AZI

Samples:

sample_1: Azide-inhibited pa-HO' '[U-13C; U-15N]; .; .; .; .

conditions_1: pH: 7.0; temperature: 305 K

Experiments:

NameSampleSample stateSample conditions
1H15N_HSQCsample_1not availableconditions_1
HNCAsample_1not availableconditions_1
HN(CO)CAsample_1not availableconditions_1
HNCACBsample_1not availableconditions_1
CBCA(CO)NHsample_1not availableconditions_1
HNCOsample_1not availableconditions_1
(HCA)CO(CA)NHsample_1not availableconditions_1
15N-NOESY-HSQCsample_1not availableconditions_1

Software:

No software information available

NMR spectrometers:

  • Varian Unity Inova 600 MHz
  • Bruker Avance 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts