SMTL ID : 3qdw.1 (2 other biounits)

Structure of the hexagonal form of the Boletus edulis lectin in complex with N-acetyl glucosamine and N-acetyl galactosamine

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

homo-tetramer

Ligands

4 x A2G: 2-acetamido-2-deoxy-alpha-D-galactopyranose(Non-covalent)

A2G.1: 8 residues within 4Å: Chain A: Y.29, S.49, G.50, H.72, N.73, Y.74, Y.98, R.107 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:S.49, A:G.50, A:N.73, A:R.107, A:R.107 Salt bridges: A:H.72 A2G.3: 8 residues within 4Å: Chain B: Y.29, S.49, G.50, H.72, N.73, Y.74, Y.98, R.107 8 PLIP interactions: 8 interactions with chain B Hydrophobic interactions: B:Y.74 Hydrogen bonds: B:S.49, B:G.50, B:N.73, B:R.107 Water bridges: B:A.30, B:N.99 Salt bridges: B:H.72 A2G.5: 8 residues within 4Å: Chain C: Y.29, S.49, G.50, H.72, N.73, Y.74, Y.98, R.107 6 PLIP interactions: 6 interactions with chain C Hydrogen bonds: C:S.49, C:G.50, C:N.73, C:R.107, C:R.107 Salt bridges: C:H.72 A2G.7: 8 residues within 4Å: Chain D: Y.29, S.49, G.50, H.72, N.73, Y.74, Y.98, R.107 8 PLIP interactions: 8 interactions with chain D Hydrophobic interactions: D:Y.74 Hydrogen bonds: D:S.49, D:G.50, D:N.73, D:R.107 Water bridges: D:A.30, D:N.99 Salt bridges: D:H.72

4 x NDG: 2-acetamido-2-deoxy-alpha-D-glucopyranose(Non-covalent)

NDG.2: 9 residues within 4Å: Chain A: D.79, V.80, V.81, T.82, R.103, Y.105, T.106, Y.114, V.116 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:V.116 Hydrogen bonds: A:T.82, A:Y.97, A:R.103, A:T.106, A:Y.114, A:Y.114 Salt bridges: A:R.103 NDG.4: 10 residues within 4Å: Chain B: D.79, V.80, V.81, T.82, R.103, Y.105, T.106, Y.114, V.116, T.117 8 PLIP interactions: 8 interactions with chain B Hydrophobic interactions: B:V.116 Hydrogen bonds: B:T.82, B:R.103, B:T.106, B:Y.114 Water bridges: B:T.82, B:R.103 Salt bridges: B:R.103 NDG.6: 9 residues within 4Å: Chain C: D.79, V.80, V.81, T.82, R.103, Y.105, T.106, Y.114, V.116 7 PLIP interactions: 7 interactions with chain C Hydrophobic interactions: C:V.116 Hydrogen bonds: C:T.82, C:Y.97, C:Y.97, C:R.103, C:Y.114 Salt bridges: C:R.103 NDG.8: 10 residues within 4Å: Chain D: D.79, V.80, V.81, T.82, R.103, Y.105, T.106, Y.114, V.116, T.117 8 PLIP interactions: 8 interactions with chain D Hydrophobic interactions: D:V.116 Hydrogen bonds: D:T.82, D:R.103, D:Y.114, D:Y.114 Water bridges: D:T.82, D:R.103 Salt bridges: D:R.103

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Bovi, M. et al., Structure of a lectin with antitumoral properties in king bolete (Boletus edulis) mushrooms. Glycobiology (2011)

Release Date

2011-02-23

Peptides

BOLETUS EDULIS LECTIN: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
A

D
B

BOLETUS EDULIS LECTIN

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