SMTL ID : 6t0q.1

Pleurotus Ostreatus Lectin (POL), apo form

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.05 Å

Oligo State

homo-dimer

Ligands

2 x NAG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(4-3)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NAG.1: 5 residues within 4Å: Chain A: N.58, T.60, T.108, W.109, P.163 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:W.109, A:P.163 Hydrogen bonds: A:N.58 NAG-NAG.10: 5 residues within 4Å: Chain B: N.58, T.60, T.108, W.109, P.163 3 PLIP interactions: 3 interactions with chain B Hydrophobic interactions: B:W.109, B:P.163 Hydrogen bonds: B:N.58

4 x NAG- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Post Translational Modification)

NAG-NAG.2: 6 residues within 4Å: Chain A: S.215, R.241, N.278, T.280, I.316, F.320 No protein-ligand interaction detected (PLIP) NAG-NAG.3: 10 residues within 4Å: Chain A: R.88, I.89, G.90, T.91, Q.99, A.100, L.101, F.102, L.293, N.301 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:T.91 Water bridges: A:T.91 NAG-NAG.11: 6 residues within 4Å: Chain B: S.215, R.241, N.278, T.280, I.316, F.320 No protein-ligand interaction detected (PLIP) NAG-NAG.12: 10 residues within 4Å: Chain B: R.88, I.89, G.90, T.91, Q.99, A.100, L.101, F.102, L.293, N.301 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:T.91

4 x CA: CALCIUM ION(Non-covalent)

CA.4: 6 residues within 4Å: Chain A: D.77, D.78, N.118, S.123, P.124 Ligands: GOL.7 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.77, A:D.78, A:S.123, A:P.124, H2O.2 CA.5: 5 residues within 4Å: Chain A: D.239, D.240, N.281, G.283, P.285 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.239, A:D.240, A:G.283, A:P.285 CA.13: 6 residues within 4Å: Chain B: D.77, D.78, N.118, S.123, P.124 Ligands: GOL.16 5 PLIP interactions: 4 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:D.77, B:D.78, B:S.123, B:P.124, H2O.12 CA.14: 5 residues within 4Å: Chain B: D.239, D.240, N.281, G.283, P.285 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:D.239, B:D.240, B:G.283, B:P.285

8 x GOL: GLYCEROL(Non-functional Binders)

GOL.6: 4 residues within 4Å: Chain A: D.239, Y.257, P.285, P.343 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:D.239, A:Y.257, A:Y.257 GOL.7: 4 residues within 4Å: Chain A: D.77, F.95, P.124 Ligands: CA.4 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:P.124 Water bridges: A:S.123 GOL.8: 6 residues within 4Å: Chain A: R.219, K.220, T.221, S.309, K.311, E.327 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:T.221, A:T.221 GOL.9: 5 residues within 4Å: Chain A: Q.24, S.253, G.254, D.261, Y.263 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:Q.24, A:S.253, A:D.261 Water bridges: A:S.253, A:S.255, A:Y.263 GOL.15: 4 residues within 4Å: Chain B: D.239, Y.257, P.285, P.343 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:D.239, B:Y.257 Water bridges: B:Y.257, B:Y.257, B:Y.257 GOL.16: 4 residues within 4Å: Chain B: D.77, F.95, P.124 Ligands: CA.13 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:P.124 Water bridges: B:S.123 GOL.17: 6 residues within 4Å: Chain B: R.219, K.220, T.221, S.309, K.311, E.327 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:T.221 GOL.18: 5 residues within 4Å: Chain B: Q.24, S.253, G.254, D.261, Y.263 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:Q.24, B:S.253, B:D.261, B:Y.263 Water bridges: B:S.253, B:S.255, B:Y.263

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Perduca, M. et al., Structure and properties of the oyster mushroom (Pleurotus ostreatus) lectin. Glycobiology (2020)

Release Date

2020-02-19

Peptides

Lectin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

Lectin