BMRB Entry 51307

Name: 1H15N HSQC Chemical Shifts and Relaxation Parameters for Oxidized WT MIF
Published: 2022-05-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51307

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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:

1H15N HSQC Chemical Shifts and Relaxation Parameters for Oxidized WT MIF

Deposition date:

2022-02-06

Original release date:

2022-05-27

Authors:

Skeens, Erin; Berlow, Rebecca; Lisi, George

Citation:

Citation: Skeens, Erin; Gadzuk-Shea, Meagan; Shah, Dilip; Bhandari, Vineet; Schweppe, Devin; Berlow, Rebecca; Lisi, George. "Redox-dependent structure and dynamics of macrophage migration inhibitory factor reveal sites of latent allostery" Structure 30, 840-850 (2022).
PubMed: 35381187

Assembly members:

Assembly members:
entity_1, polymer, 114 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-11b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: PMFIVNTNVPRASVPDGFLS ELTQQLAQATGKPPQYIAVH VVPDQLMAFGGSSEPCALCS LHSIGKIGGAQNRSYSKLLC GLLAERLRISPDRVYINYYD MNAANVGWNNSTFA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
heteronucl_NOEs
- heteronucl_NOEs_1
heteronucl_T1_relaxation
- heteronucl_T1_relaxation_1
heteronucl_T2_relaxation
- heteronucl_T2_relaxation_1

Data type	Count
15N chemical shifts	95
1H chemical shifts	95
T1 relaxation values	87
T2 relaxation values	87
heteronuclear NOE values	90

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	WT MIF monomer, 1	1
2	WT MIF monomer, 2	1
3	WT MIF monomer, 3	1

Entities:

Entity 1, WT MIF monomer, 1 114 residues - Formula weight is not available

1

PRO

MET

PHE

ILE

VAL

ASN

THR

ASN

VAL

PRO

2

ARG

ALA

SER

VAL

PRO

ASP

GLY

PHE

LEU

SER

3

GLU

LEU

THR

GLN

LEU

ALA

GLN

ALA

THR

4

GLY

LYS

PRO

GLN

TYR

ILE

ALA

VAL

HIS

5

VAL

PRO

ASP

GLN

LEU

MET

ALA

PHE

GLY

6

GLY

SER

GLU

PRO

CYS

ALA

LEU

CYS

SER

7

LEU

HIS

SER

ILE

GLY

LYS

ILE

GLY

ALA

8

GLN

ASN

ARG

SER

TYR

SER

LYS

LEU

CYS

9

GLY

LEU

ALA

GLU

ARG

LEU

ARG

ILE

SER

10

PRO

ASP

ARG

VAL

TYR

ILE

ASN

TYR

ASP

11

MET

ASN

ALA

ASN

VAL

GLY

TRP

ASN

12

SER

THR

PHE

ALA

Samples:

sample_1: WT MIF, [U-99% 15N], 1.0 mM; sodium phosphate 20 mM; D2O 10%; EDTA 1 mM; Hydrogen Peroxide 6 mM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
T1/R1 relaxation	sample_1	isotropic	sample_conditions_1
T2/R2 relaxation	sample_1	isotropic	sample_conditions_1
1H-15N heteronoe	sample_1	isotropic	sample_conditions_1

Software:

NMRFAM-SPARKY - data analysis

NMRPipe - processing

NMR spectrometers:

Bruker AVANCE NEO 600 MHz

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