SMTL ID : 4i4y.1 (5 other biounits)

BEL beta-trefoil complex with T-Antigen

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

homo-dimer

Ligands

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

A2G-GAL.1: 9 residues within 4Å: Chain B: Y.25, R.27, W.35, Q.36, Y.37, Y.42, D.44, Q.45 Ligands: SER.5 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:Y.25, B:R.27, B:R.27, B:W.35, B:R.27 A2G-GAL.2: 8 residues within 4Å: Chain B: Y.119, R.121, N.130, F.131, Y.136, D.138, Q.139 Ligands: SER.6 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:R.121, B:R.121, B:R.121, B:Q.139 Water bridges: B:D.138 A2G-GAL.3: 7 residues within 4Å: Chain B: F.72, R.74, I.84, Y.90, D.92, N.93 Ligands: SER.7 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:R.74, B:R.74, B:R.74, B:N.93

1 x TRS: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL(Non-covalent)

TRS.4: 6 residues within 4Å: Chain A: F.72, R.74, I.84, Y.90, D.92, N.93 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:R.74, A:N.93 Water bridges: A:D.92, A:D.92

3 x SER: SERINE(Non-covalent)

SER.5: 3 residues within 4Å: Chain B: Y.37, N.38 Ligands: A2G-GAL.1 4 PLIP interactions: 2 interactions with chain B, 2 Ligand-Ligand interactions Hydrogen bonds: B:N.38, S.5, S.5 Water bridges: B:Y.37 SER.6: 3 residues within 4Å: Chain B: F.131, T.132 Ligands: A2G-GAL.2 3 PLIP interactions: 1 interactions with chain B, 2 Ligand-Ligand interactions Water bridges: B:T.132 Hydrogen bonds: S.6, S.6 SER.7: 1 residues within 4Å: Ligands: A2G-GAL.3 2 PLIP interactions: 2 Ligand-Ligand interactions Hydrogen bonds: S.7, S.7

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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