BMRB Entry 52175

Title:
Ligand-induced transition state stabilization of protein conformational change switches the binding pathway from conformational selection to induced fit - LACTOSE
Deposition date:
2023-10-15
Original release date:
2024-02-22
Authors:
Stenstrom, Olof; Diehl, Carl; Modig, Kristofer; Akke, Mikael
Citation:

Citation: Stenstrom, Olof; Diehl, Carl; Modig, Kristofer; Akke, Mikael. "Ligand-induced transition state stabilization of protein conformational change switches the binding pathway from conformational selection to induced fit"  Proc. Natl. Acad. Sci. U.S.A. 121, e2317747121-e2317747121 (2024).
PubMed: 38527204

Assembly members:

Assembly members:
entity_1, polymer, 138 residues, Formula weight is not available
entity_2, polymer, 2 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: PET9a

Data typeCount

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Galectin-3C1
2Lactose2

Entities:

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

1   ALALEUILEVALPROTYRASNLEUPROLEU
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

Entity 2, Lactose 2 residues - Formula weight is not available

1   GALBGC

Samples:

sample_1: HEPES 5 mM; Galectin-3C 0.206 mM; Lactose 0.029 mM

sample_2: HEPES 5 mM; Galectin-3C 0.205 mM; Lactose 0.058 mM

sample_3: HEPES 5 mM; Galectin-3C 0.205 mM; Lactose 0.086 mM

sample_4: HEPES 5 mM; Galectin-3C 0.204 mM; Lactose 0.166 mM

sample_5: HEPES 5 mM; Galectin-3C 0.203 mM; Lactose 0.166 mM

sample_6: HEPES 5 mM; Galectin-3C 0.302 mM; Lactose 0.248 mM

sample_7: HEPES 5 mM; Galectin-3C 0.321 mM; Lactose 0.946 mM

sample_conditions_1: ionic strength: 0.0025 M; pH: 7.4; pressure: 1 atm; temperature: 301 K

Experiments:

NameSampleSample stateSample conditions
1H-15N CPMGsample_1isotropicsample_conditions_1
1H-15N CPMGsample_2isotropicsample_conditions_1
1H-15N CPMGsample_3isotropicsample_conditions_1
1H-15N CPMGsample_4isotropicsample_conditions_1
1H-15N CPMGsample_5isotropicsample_conditions_1
1H-15N CPMGsample_6isotropicsample_conditions_1
1H-15N CPMGsample_7isotropicsample_conditions_1

Software:

NMRPipe - processing

PINT - Peak Integration

NMR spectrometers:

  • Varian Unity 600 MHz