SMTL ID : 8bro.1

Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-fucosylamide

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.55 Å

Oligo State

homo-trimer

Ligands

3 x R7E: 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide(Non-covalent)

R7E.1: 12 residues within 4Å: Chain A: T.49, Y.51, S.85, T.86, G.87, R.88, S.122 Chain B: Y.61, D.73, G.74, T.77, R.114 11 PLIP interactions: 8 interactions with chain A, 3 interactions with chain B Hydrophobic interactions: A:T.49, A:Y.51 Hydrogen bonds: A:T.86, A:R.88, B:R.114, B:R.114 Water bridges: A:S.85, A:S.85, A:S.85, A:S.85 pi-Stacking: B:Y.61 R7E.2: 12 residues within 4Å: Chain B: T.49, Y.51, S.85, T.86, G.87, R.88, S.122 Chain C: Y.61, D.73, G.74, T.77, R.114 11 PLIP interactions: 8 interactions with chain B, 3 interactions with chain C Hydrophobic interactions: B:T.49, B:Y.51 Hydrogen bonds: B:T.86, B:R.88, C:R.114, C:R.114 Water bridges: B:S.85, B:S.85, B:S.85, B:S.85 pi-Stacking: C:Y.61 R7E.3: 12 residues within 4Å: Chain A: Y.61, D.73, G.74, T.77, R.114 Chain C: T.49, Y.51, S.85, T.86, G.87, R.88, S.122 11 PLIP interactions: 8 interactions with chain C, 3 interactions with chain A Hydrophobic interactions: C:T.49, C:Y.51 Hydrogen bonds: C:T.86, C:R.88, A:R.114, A:R.114 Water bridges: C:S.85, C:S.85, C:S.85, C:S.85 pi-Stacking: A:Y.61

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Mazzotta, S. et al., Identification of New L-Fucosyl and L-Galactosyl Amides as Glycomimetic Ligands of TNF Lectin Domain of BC2L-C from Burkholderia cenocepacia. Molecules (2023)

Release Date

2023-02-08

Peptides

Lectin: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

Lectin

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