SMTL ID : 7olu.1

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

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.79 Å

Oligo State

homo-trimer

Ligands

3 x VJT: (2-(4-(beta-L-fucopyranosylethynyl)phenyl)-2-methylpropan-1-amine(Non-covalent)

VJT.1: 12 residues within 4Å: Chain A: Y.61, D.73, G.74, T.77, R.114 Chain B: T.49, Y.51, S.85, T.86, G.87, R.88, S.122 11 PLIP interactions: 5 interactions with chain B, 6 interactions with chain A Hydrophobic interactions: B:T.49, B:Y.51, A:Y.61, A:Y.61 Hydrogen bonds: B:T.86, B:R.88, A:T.77, A:R.114, A:R.114 Water bridges: B:S.85, A:T.77 VJT.2: 12 residues within 4Å: Chain B: 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: 6 interactions with chain B, 5 interactions with chain C Hydrophobic interactions: B:Y.61, B:Y.61, C:T.49, C:Y.51 Hydrogen bonds: B:T.77, B:R.114, B:R.114, C:T.86, C:R.88 Water bridges: B:T.77, C:S.85 VJT.3: 12 residues within 4Å: Chain A: 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: 6 interactions with chain C, 5 interactions with chain A Hydrophobic interactions: C:Y.61, C:Y.61, A:T.49, A:Y.51 Hydrogen bonds: C:T.77, C:R.114, C:R.114, A:T.86, A:R.88 Water bridges: C:T.77, A:S.85

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Bermeo, R. et al., Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin. Acs Chem.Biol. (2022)

Release Date

2022-06-01

Peptides

Lectin: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
AAA

B
AAA

C
AAA

Lectin

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