SMTL ID : 6kbq.1

Crystal Structure of Lectin from Pleurotus ostreatus in complex with Glycerol

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.30 Å

Oligo State

monomer

Ligands

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

NAG-NAG.1: 8 residues within 4Å: Chain A: R.108, I.109, G.110, T.111, L.121, F.122, L.313, N.321 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:R.108, A:R.108, A:T.111, A:T.111, A:Q.119 NAG-NAG.2: 5 residues within 4Å: Chain A: R.76, N.78, T.80, W.129, P.183 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:T.128 NAG-NAG.3: 5 residues within 4Å: Chain A: S.235, N.298, T.300, I.336, F.340 No protein-ligand interaction detected (PLIP)

2 x CA: CALCIUM ION(Non-covalent)

CA.4: 6 residues within 4Å: Chain A: D.259, D.260, N.301, G.303, P.305 Ligands: GOL.7 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.259, A:D.260, A:G.303, A:P.305 CA.5: 6 residues within 4Å: Chain A: D.97, D.98, N.138, S.143, P.144 Ligands: GOL.6 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.97, A:D.98, A:S.143, A:P.144

4 x GOL: GLYCEROL(Non-functional Binders)

GOL.6: 6 residues within 4Å: Chain A: D.97, D.98, V.140, S.143, P.144 Ligands: CA.5 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:D.97, A:S.143 GOL.7: 6 residues within 4Å: Chain A: D.259, D.260, Y.277, G.303, P.305 Ligands: CA.4 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:D.259, A:G.303 GOL.8: 6 residues within 4Å: Chain A: R.239, K.240, T.241, S.329, K.331, E.347 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:R.239, A:T.241, A:T.241, A:K.331, A:E.347 GOL.9: 4 residues within 4Å: Chain A: E.60, N.61, S.67, I.69 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:E.60 Water bridges: A:I.69

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Vajravijayan, S. et al., Crystallographic and calorimetric analysis on Pleurotus ostreatus lectin and its sugar complexes - promiscuous binding driven by geometry. Int.J.Biol.Macromol. (2020)

Release Date

2020-08-05

Peptides

Lectin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Lectin

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