SMTL ID : 4i4v.1 (5 other biounits)

BEL beta-trefoil complex with N-acetylgalactosamine

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.50 Å

Oligo State

homo-dimer

Ligands

4 x NGA: 2-acetamido-2-deoxy-beta-D-galactopyranose(Non-covalent)

NGA.1: 6 residues within 4Å: Chain A: Y.119, R.121, F.131, Y.136, D.138, Q.139 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:R.121, A:Q.139 Water bridges: A:R.121, A:R.121, A:T.123, A:T.123, A:D.138 Salt bridges: A:R.121 NGA.2: 6 residues within 4Å: Chain A: Y.25, R.27, Y.37, Y.42, D.44, Q.45 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:R.27, A:Y.42, A:Q.45 Water bridges: A:D.44, A:D.44 Salt bridges: A:R.27 NGA.4: 6 residues within 4Å: Chain B: Y.119, R.121, F.131, Y.136, D.138, Q.139 12 PLIP interactions: 12 interactions with chain B Hydrogen bonds: B:R.121, B:Q.139 Water bridges: B:R.121, B:R.121, B:T.123, B:T.123, B:T.123, B:Y.136, B:Y.136, B:Y.136, B:D.138 Salt bridges: B:R.121 NGA.5: 6 residues within 4Å: Chain B: F.72, R.74, I.84, Y.90, D.92, N.93 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:R.74, B:N.93 Salt bridges: B:R.74

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

TRS.3: 6 residues within 4Å: Chain A: F.72, R.74, I.84, Y.90, D.92, N.93 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:R.74, A:D.92, A:N.93

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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