BMRB Entry 51848

Name: cGlbN-Fe3-bisHis
Published: 2023-06-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51848

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

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Title:

cGlbN-Fe3-bisHis

Deposition date:

2023-02-20

Original release date:

2023-06-29

Authors:

Martinez Grundman, Jaime; Lecomte, Juliette

Citation:

Citation: Martinez Grundman, Jaime; Johnson, Eric; Lecomte, Juliette. "Architectural digest: Thermodynamic stability and domain structure of a consensus monomeric globin" Biophys. J. 122, 3117-3132 (2023).
PubMed: 37353934

Assembly members:

Assembly members:
entity_1, polymer, 119 residues, 13210.76 Da.
entity_HEM, non-polymer, 616.487 Da.

Natural source:

Natural source: Common Name: pig Taxonomy ID: 9823 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Sus scrofa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pJExpress414

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SSLYERIGGEEAVEAVVDDF YKRVLADDRLAPFFEGTDME RQRAHQKAFLTAALGGPVEY TGRDMREAHAGLGITDEHFD AVAEHLVATLRELGVPEELI DEVLAIVASLRDDVLNRNK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	318
15N chemical shifts	107
1H chemical shifts	202

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	cGlbN	1
2	heme	2

Entities:

Entity 1, cGlbN 119 residues - 13210.76 Da.

Initial Met (Met1) is cleaved

1

SER

LEU

TYR

GLU

ARG

ILE

GLY

GLU

2

GLU

ALA

VAL

GLU

ALA

VAL

ASP

PHE

3

TYR

LYS

ARG

VAL

LEU

ALA

ASP

ARG

LEU

4

ALA

PRO

PHE

GLU

GLY

THR

ASP

MET

GLU

5

ARG

GLN

ARG

ALA

HIS

GLN

LYS

ALA

PHE

LEU

6

THR

ALA

LEU

GLY

PRO

VAL

GLU

TYR

7

THR

GLY

ARG

ASP

MET

ARG

GLU

ALA

HIS

ALA

8

GLY

LEU

GLY

ILE

THR

ASP

GLU

HIS

PHE

ASP

9

ALA

VAL

ALA

GLU

HIS

LEU

VAL

ALA

THR

LEU

10

ARG

GLU

LEU

GLY

VAL

PRO

GLU

LEU

ILE

11

ASP

GLU

VAL

LEU

ALA

ILE

VAL

ALA

SER

LEU

12

ARG

ASP

VAL

LEU

ASN

ARG

ASN

LYS

Entity 2, heme - C34 H32 Fe N4 O4 - 616.487 Da.

1

HEM

Samples:

sample_1: cGlbN, [U-13C; U-15N], 2 mM; potassium phosphate 15 mM

sample_conditions_1: ionic strength: 0.019 M; pH: 6.3; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - collection

NMRPipe - processing

CARA - chemical shift assignment, data analysis

SPARKY - chemical shift assignment, data analysis

CcpNMR - chemical shift assignment, data analysis

NMR spectrometers:

Bruker AVANCE II 600 MHz

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