BMRB Entry 6987

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6987

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Backbone 1H, 13C, 15N, and 13CB Chemical Shift Assignments for Cyanide-Inhibited P. aeruginosa Heme Oxygenase

Deposition date:

2006-02-14

Original release date:

2006-04-27

Authors:

Rodriguez, Juan Carlos

Citation:

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).
PubMed: 16584193

Assembly members:

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:

Natural source: Common Name: Pseudomonas aeruginosa Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: Protista Genus/species: Pseudomonas aeruginosa

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	521
15N chemical shifts	181
1H chemical shifts	181

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

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

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

PHE

LEU

PHE

14

LYS

ALA

LEU

GLU

LEU

ASP

GLU

15

ASN

PHE

GLY

ALA

ARG

HIS

LEU

ALA

GLU

PRO

16

GLU

GLY

ARG

ALA

GLN

GLY

TRP

LYS

SER

17

PHE

VAL

ALA

ILE

LEU

ASP

GLY

ILE

GLU

LEU

18

ASN

GLU

ARG

LEU

ALA

LYS

19

GLY

ALA

SER

ASP

ALA

PHE

ASN

ARG

PHE

GLY

20

ASP

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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks