SMTL ID : 4i4x.1 (5 other biounits)

BEL beta-trefoil complex with T-Antigen disaccharide

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.72 Å

Oligo State

homo-dimer

Ligands

4 x A2G- GAL: beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose(Non-covalent)

A2G-GAL.1: 7 residues within 4Å: Chain A: Y.119, R.121, F.131, Y.136, D.137, D.138, Q.139 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:R.121, A:Q.139, A:D.138 Salt bridges: A:R.121 Water bridges: A:T.123, A:Y.136, A:D.137 A2G-GAL.2: 7 residues within 4Å: Chain B: Y.25, R.27, W.35, Y.37, Y.42, D.44, Q.45 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:Y.25, B:R.27, B:R.27, B:W.35, B:R.27 Water bridges: B:Y.37, B:Y.37, B:N.38, B:D.44, B:D.44 A2G-GAL.3: 6 residues within 4Å: Chain B: F.72, R.74, I.84, Y.90, D.92, N.93 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:R.74, B:R.74, B:R.74, B:N.93, B:N.93 Water bridges: B:S.76, B:S.76 A2G-GAL.4: 8 residues within 4Å: Chain B: Y.119, R.121, P.126, N.130, F.131, Y.136, D.138, Q.139 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:R.121, B:R.121, B:R.121, B:Q.139 Water bridges: B:N.130, B:N.130, B:R.121, B:Y.136, B:Y.136, B:Y.136, B:D.138

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Bovi, M. et al., BEL {beta}-trefoil: A novel lectin with antineoplastic properties in king bolete (Boletus edulis) mushrooms. Glycobiology (2013)

Release Date

2013-04-24

Peptides

BEL beta-trefoil: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

BEL beta-trefoil

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