SMTL ID : 4i4o.1 (2 other biounits)

BEL beta-trefoil apo crystal form 1

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.12 Å

Oligo State

homo-dimer

Ligands

10 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 6 residues within 4Å: Chain A: Y.119, R.121, F.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:D.138, A:D.138 GOL.2: 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:D.92, A:N.93 Water bridges: A:R.74, A:S.76 GOL.3: 6 residues within 4Å: Chain A: Y.25, R.27, Y.37, Y.42, D.44, Q.45 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:R.27, A:Q.45 Water bridges: A:R.27, A:R.27 GOL.4: 1 residues within 4Å: Chain A: K.63 2 PLIP interactions: 2 interactions with chain A Water bridges: A:S.64, A:V.65 GOL.5: 6 residues within 4Å: Chain A: I.98, R.108, Y.110, V.117, K.135 Chain B: V.1 6 PLIP interactions: 4 interactions with chain A, 2 interactions with chain B Hydrogen bonds: A:R.108, B:V.1, B:V.1 Water bridges: A:I.98, A:R.108, A:Y.110 GOL.7: 6 residues within 4Å: Chain B: Y.119, R.121, F.131, Y.136, D.138, Q.139 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:R.121, B:Q.139 Water bridges: B:R.121, B:R.121, B:D.138 GOL.8: 6 residues within 4Å: Chain B: Y.25, R.27, Y.37, Y.42, D.44, Q.45 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:R.27, B:Q.45 Water bridges: B:R.27, B:D.44, B:D.44 GOL.9: 6 residues within 4Å: Chain B: F.72, R.74, I.84, Y.90, D.92, N.93 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:R.74, B:N.93 GOL.10: 1 residues within 4Å: Chain B: K.57 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:K.57 Water bridges: B:G.52 GOL.11: 6 residues within 4Å: Chain A: V.1 Chain B: R.108, Y.110, V.117, G.133, K.135 5 PLIP interactions: 3 interactions with chain B, 2 interactions with chain A Hydrogen bonds: B:G.133, A:V.1, A:V.1 Water bridges: B:G.133, B:Q.139

1 x SO4: SULFATE ION(Non-functional Binders)

SO4.6: 3 residues within 4Å: Chain A: R.27, T.28, E.29 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:T.28, A:E.29 Water bridges: A:R.27, A:E.29, A:N.67

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

Related Entries With Identical Sequence