SMTL ID : 6kbj.1

Structure of Lectin from Pleurotus ostreatus in complex with malonate

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.20 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

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 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:T.111, A:T.111 NAG-NAG.2: 5 residues within 4Å: Chain A: N.78, T.80, T.128, W.129, P.183 No protein-ligand interaction detected (PLIP) 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

CA.4: 7 residues within 4Å: Chain A: D.259, D.260, N.301, G.303, G.304, P.305 Ligands: MLI.8 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: MLI.7 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.97, A:D.98, A:S.143, A:P.144

3 x MLI: MALONATE ION

MLI.6: 8 residues within 4Å: Chain A: C.89, A.90, T.91, F.122, H.154, C.251, T.253, T.315 5 PLIP interactions: 5 interactions with chain A Hydrophobic interactions: A:F.122 Hydrogen bonds: A:A.90, A:A.90, A:V.123 Salt bridges: A:H.154 MLI.7: 7 residues within 4Å: Chain A: D.97, D.98, F.115, V.140, S.143, P.144 Ligands: CA.5 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:S.143 MLI.8: 6 residues within 4Å: Chain A: D.259, D.260, Y.277, G.303, P.305 Ligands: CA.4 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:D.259, A:D.259 Water bridges: A:Y.277

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

2020-08-12

Peptides

Lectin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Lectin

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