SMTL ID : 6t99.1 (2 other biounits)

Crystal structrue of RSL W31YW76Y lectin mutant in complex with alpha-methylfucoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.70 Å

Oligo State

homo-trimer

Ligands

6 x MFU: methyl alpha-L-fucopyranoside(Non-covalent)

MFU.1: 7 residues within 4Å: Chain A: R.62, E.73, G.84, A.85, Y.86 Chain B: Y.31, W.36 6 PLIP interactions: 5 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:R.62, A:E.73, A:A.85, A:Y.86 Salt bridges: A:R.62 Hydrophobic interactions: B:Y.31 MFU.2: 9 residues within 4Å: Chain A: R.17, E.28, Y.37, G.39, A.40, F.41, I.61, Y.76, W.81 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:I.61, A:Y.76 Hydrogen bonds: A:R.17, A:E.28, A:A.40, A:F.41 Salt bridges: A:R.17 MFU.3: 8 residues within 4Å: Chain B: R.17, E.28, G.39, A.40, F.41, I.61, Y.76, W.81 7 PLIP interactions: 7 interactions with chain B Hydrophobic interactions: B:I.61, B:Y.76 Hydrogen bonds: B:E.28, B:A.40, B:F.41, B:Y.76 Salt bridges: B:R.17 MFU.4: 9 residues within 4Å: Chain B: R.62, E.73, G.84, A.85, Y.86 Chain C: P.14, I.16, Y.31, W.36 7 PLIP interactions: 4 interactions with chain B, 3 interactions with chain C Hydrogen bonds: B:E.73, B:A.85, B:Y.86, C:Y.31 Salt bridges: B:R.62 Hydrophobic interactions: C:I.16, C:Y.31 MFU.5: 7 residues within 4Å: Chain C: R.17, E.28, G.39, A.40, F.41, Y.76, W.81 6 PLIP interactions: 6 interactions with chain C Hydrophobic interactions: C:Y.76 Hydrogen bonds: C:R.17, C:E.28, C:A.40, C:F.41 Salt bridges: C:R.17 MFU.6: 8 residues within 4Å: Chain A: I.16, Y.31, W.36 Chain C: R.62, E.73, G.84, A.85, Y.86 6 PLIP interactions: 4 interactions with chain C, 2 interactions with chain A Hydrogen bonds: C:E.73, C:A.85, C:Y.86 Salt bridges: C:R.62 Hydrophobic interactions: A:I.16, A:Y.31

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Houser, J. et al., The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification. Chemistry (2020)

Release Date

2020-04-22

Peptides

Fucose-binding lectin protein: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

Fucose-binding lectin protein

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