BMRB Entry 27721

Title:
Backbone, methyl and Arg Ne chemical shift assignments, relaxation data and order parameters of Galectin-3 bound to S
Deposition date:
2018-12-10
Original release date:
2018-12-21
Authors:
Verteramo, Maria Luisa; Stenstrom, Olof; Misini Ignjatovic, Majda; Caldararu, Octav; Olsson, Martin; Manzoni, Francesco; Leffler, Hakon; Oksanen, Esko; Logan, Derek; Nilsson, Ulf; Ryde, Ulf; Akke, Mikael
Citation:

Citation: Verteramo, Maria Luisa; Stenstrom, Olof; Misini Ignjatovic, Majda; Caldararu, Octav; Olsson, Martin; Manzoni, Francesco; Leffler, Hakon; Oksanen, Esko; Logan, Derek; Nilsson, Ulf; Ryde, Ulf; Akke, Mikael. "Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding."  J. Am. Chem. Soc. 141, 2012-2026 (2019).
PubMed: 30618244

Assembly members:

Assembly members:
Galectin-3C, polymer, 138 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

Data typeCount
13C chemical shifts58
15N chemical shifts95
1H chemical shifts269
T1 relaxation values405
T2 relaxation values418
heteronuclear NOE values310
order parameters142

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Galectin-3C1

Entities:

Entity 1, Galectin-3C 138 residues - Formula weight is not available

1   PROLEUILEVALPROTYRASNLEUPROLEU
2   PROGLYGLYVALVALPROARGMETLEUILE
3   THRILELEUGLYTHRVALLYSPROASNALA
4   ASNARGILEALALEUASPPHEGLNARGGLY
5   ASNASPVALALAPHEHISPHEASNPROARG
6   PHEASNGLUASNASNARGARGVALILEVAL
7   CYSASNTHRLYSLEUASPASNASNTRPGLY
8   ARGGLUGLUARGGLNSERVALPHEPROPHE
9   GLUSERGLYLYSPROPHELYSILEGLNVAL
10   LEUVALGLUPROASPHISPHELYSVALALA
11   VALASNASPALAHISLEULEUGLNTYRASN
12   HISARGVALLYSLYSLEUASNGLUILESER
13   LYSLEUGLYILESERGLYASPILEASPLEU
14   THRSERALASERTYRTHRMETILE

Samples:

15N-13C: Galectin-3, [U-100% 13C; U-100% 15N], 0.20 mM; compound S 0.32 mM

15N: Galectin-3, [U-100% 15N], 0.32 mM; compound S 0.35 mM

15N-13C-D2O: Galectin-3, [U-100% 13C; U-100% 15N; U-60% 2H], 0.34 mM; compound S 0.36 mM

sample_conditions_1: ionic strength: 0 M; pH: 7.4; pressure: 1 atm; temperature: 301 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACB15N-13Cisotropicsample_conditions_1
2D 1H-15N HSQC15N-13Cisotropicsample_conditions_1
3D HCCH-COSY15N-13Cisotropicsample_conditions_1
2D 1H-13C HSQC15N-13Cisotropicsample_conditions_1
15N R115Nisotropicsample_conditions_1
15N R115Nisotropicsample_conditions_1
15N R115Nisotropicsample_conditions_1
15N R215Nisotropicsample_conditions_1
15N R215Nisotropicsample_conditions_1
15N R215Nisotropicsample_conditions_1
{H}-15N NOE15Nisotropicsample_conditions_1
{H}-15N NOE15Nisotropicsample_conditions_1
{H}-15N NOE15Nisotropicsample_conditions_1
R1(Dz)15N-13C-D2Oisotropicsample_conditions_1
R1(Dz)15N-13C-D2Oisotropicsample_conditions_1
R(3Dz-2)15N-13C-D2Oisotropicsample_conditions_1
R(3Dz-2)15N-13C-D2Oisotropicsample_conditions_1
R2(D+)15N-13C-D2Oisotropicsample_conditions_1
R2(D+)15N-13C-D2Oisotropicsample_conditions_1
R(D-Dz + DzD+)15N-13C-D2Oisotropicsample_conditions_1
R(D-Dz + DzD+)15N-13C-D2Oisotropicsample_conditions_1

Software:

VNMRJ, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Analysis, CCPN - chemical shift assignment, data analysis

Relax, d'Auvergne, E. J. and Gooley, P. R. - data analysis

PINT, Patrik Lundstr m - data analysis

NMR spectrometers:

  • Agilent UnityPlus 500 MHz
  • Agilent UnityPlus 600 MHz
  • Bruker Avance 900 MHz