SMTL ID : 6fx3.1 (1 other biounit)

crystal structure of Pholiota squarrosa lectin in complex with a dodecasaccharide

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.70 Å

Oligo State

homo-trimer

Ligands

3 x C4W- NAG- BMA- MAN- NAG- GAL- SIA- MAN- NAG- FUC: N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine(Non-covalent)

C4W-NAG-BMA-MAN-NAG-GAL-SIA-MAN-NAG-FUC.1: 18 residues within 4Å: Chain A: D.14, G.15, D.16, Y.18, D.36, T.37, N.38, V.39, F.40 Chain C: A.4, V.6, K.19, L.24, F.26, W.31, Q.34, W.35, D.36 5 PLIP interactions: 3 interactions with chain C, 2 interactions with chain A Hydrogen bonds: C:W.31, A:G.15, A:D.16, C:A.4, C:D.36, C:D.36, A:N.38 Hydrophobic interactions: C:V.6, C:L.24, C:F.26 Water bridges: C:Q.34, C:Q.34, A:N.38 Salt bridges: C:K.19 C4W-NAG-BMA-MAN-NAG-GAL-SIA-MAN-NAG-FUC.2: 18 residues within 4Å: Chain A: A.4, V.6, K.19, L.24, F.26, W.31, Q.34, W.35, D.36 Chain B: D.14, G.15, D.16, Y.18, D.36, T.37, N.38, V.39, F.40 5 PLIP interactions: 3 interactions with chain A, 2 interactions with chain B Hydrophobic interactions: A:V.6, A:L.24, A:F.26 Hydrogen bonds: A:A.4, B:G.15, B:D.16, A:D.36, A:D.36, B:N.38 Water bridges: A:Q.34, A:Q.34, B:N.38 Salt bridges: A:K.19 C4W-NAG-BMA-MAN-NAG-GAL-SIA-MAN-NAG-FUC.3: 18 residues within 4Å: Chain B: A.4, V.6, K.19, L.24, F.26, W.31, Q.34, W.35, D.36 Chain C: D.14, G.15, D.16, Y.18, D.36, T.37, N.38, V.39, F.40 5 PLIP interactions: 2 interactions with chain C, 3 interactions with chain B Hydrogen bonds: C:G.15, C:D.16, B:A.4, B:D.36, B:D.36, C:N.38 Hydrophobic interactions: B:V.6, B:L.24, B:F.26 Water bridges: C:N.38, B:Q.34, B:Q.34 Salt bridges: B:K.19

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Cabanettes, A. et al., Recognition of Complex Core-Fucosylated N-Glycans by a Mini Lectin. Angew. Chem. Int. Ed. Engl. (2018)

Release Date

2018-07-11

Peptides

lectin: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

lectin

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