SMTL ID : 6rhm.1

Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.60 Å

Oligo State

monomer

Ligands

1 x J1E: (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol(Non-covalent)

J1E.1: 13 residues within 4Å: Chain A: R.32, I.33, A.34, H.46, N.48, R.50, V.60, N.62, W.69, E.72, R.74, S.125, G.126 10 PLIP interactions: 10 interactions with chain A Hydrophobic interactions: A:A.34 Hydrogen bonds: A:R.50, A:R.50, A:N.62, A:E.72, A:R.74 Water bridges: A:H.46, A:W.69 pi-Stacking: A:H.46 pi-Cation interactions: A:R.32

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Caldararu, O. et al., Are crystallographic B-factors suitable for calculating protein conformational entropy?. Phys Chem Chem Phys (2019)

Release Date

2019-08-21

Peptides

Galectin-3: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Galectin-3

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