SMTL ID : 4i4s.1 (5 other biounits)

BEL beta-trefoil complex with lactose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.40 Å

Oligo State

homo-dimer

Ligands

3 x BGC- GAL: beta-D-galactopyranose-(1-4)-beta-D-glucopyranose(Non-covalent)(Non-functional Binders)

BGC-GAL.1: 6 residues within 4Å: Chain A: F.72, R.74, I.84, Y.90, D.92, N.93 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:R.74, A:R.74, A:R.74, A:N.93, A:N.93 Water bridges: A:S.76, A:D.92 BGC-GAL.2: 7 residues within 4Å: Chain B: Y.119, R.121, P.126, Y.131, Y.136, D.138, Q.139 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:Y.119, B:R.121, B:R.121, B:R.121, B:Q.139 Water bridges: B:Y.119, B:Y.119, B:D.138, B:D.138 BGC-GAL.3: 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:R.74, B:Y.90, B:R.74, B:N.93, B:N.93

4 x GOL: GLYCEROL(Non-functional Binders)(Non-covalent)

GOL.4: 6 residues within 4Å: Chain A: Y.119, R.121, Y.131, Y.136, D.138, Q.139 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:R.121, A:Q.139 Water bridges: A:R.121, A:Y.131, A:Y.131 GOL.5: 6 residues within 4Å: Chain A: Y.25, R.27, Y.37, Y.42, D.44, Q.45 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:R.27 Water bridges: A:D.44, A:D.44 GOL.6: 6 residues within 4Å: Chain A: V.1 Chain B: I.98, R.108, V.117, G.133, K.135 7 PLIP interactions: 5 interactions with chain B, 2 interactions with chain A Hydrogen bonds: B:R.108, B:K.135, A:V.1, A:V.1 Water bridges: B:I.98, B:R.108, B:G.133 GOL.7: 6 residues within 4Å: Chain B: Y.25, R.27, Y.37, Y.42, D.44, Q.45 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:R.27 Water bridges: B:R.27, B:D.44, B:D.44

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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