SMTL ID : 6t9b.1 (2 other biounits)

Crystal structrue of RSL W31A lectin mutant in complex with alpha-methylfucoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.46 Å

Oligo State

homo-trimer

Ligands

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

MFU.1: 10 residues within 4Å: Chain A: W.10, R.17, E.28, Y.37, G.39, A.40, F.41, I.61, W.76, W.81 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:W.10, A:I.61 Hydrogen bonds: A:E.28, A:Y.37, A:A.40, A:F.41 Water bridges: A:R.17 Salt bridges: A:R.17 MFU.2: 8 residues within 4Å: Chain A: R.62, E.73, G.84, A.85, Y.86 Chain B: P.14, I.16, W.36 5 PLIP interactions: 4 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:E.73, A:A.85, A:Y.86 Salt bridges: A:R.62 Hydrophobic interactions: B:I.16 MFU.4: 10 residues within 4Å: Chain B: R.17, E.28, Y.37, G.39, A.40, F.41, I.59, I.61, W.76, W.81 8 PLIP interactions: 8 interactions with chain B Hydrophobic interactions: B:I.59, B:I.61 Hydrogen bonds: B:E.28, B:Y.37, B:A.40, B:F.41 Water bridges: B:R.17 Salt bridges: B:R.17 MFU.5: 10 residues within 4Å: Chain B: W.53, R.62, E.73, C.75, G.84, A.85, Y.86 Chain C: P.14, I.16, W.36 6 PLIP interactions: 5 interactions with chain B, 1 interactions with chain C Hydrophobic interactions: B:W.53, C:I.16 Hydrogen bonds: B:E.73, B:A.85, B:Y.86 Salt bridges: B:R.62 MFU.7: 9 residues within 4Å: Chain C: R.17, E.28, G.39, A.40, F.41, I.59, I.61, W.76, W.81 7 PLIP interactions: 7 interactions with chain C Hydrophobic interactions: C:I.59, C:I.61 Hydrogen bonds: C:E.28, C:A.40, C:F.41 Water bridges: C:R.17 Salt bridges: C:R.17 MFU.8: 9 residues within 4Å: Chain A: P.14, I.16, W.36 Chain C: W.53, R.62, E.73, G.84, A.85, Y.86 6 PLIP interactions: 5 interactions with chain C, 1 interactions with chain A Hydrophobic interactions: C:W.53, A:I.16 Hydrogen bonds: C:E.73, C:A.85, C:Y.86 Salt bridges: C:R.62

3 x GLY: GLYCINE(Non-covalent)

GLY.3: 7 residues within 4Å: Chain A: C.75, W.76, D.77, G.78, N.79, G.80, T.82 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:D.77, A:N.79, A:N.79, A:G.80, A:T.82 GLY.6: 6 residues within 4Å: Chain B: C.75, D.77, G.78, N.79, G.80, T.82 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:D.77, B:N.79, B:N.79, B:G.80, B:G.80, B:T.82 GLY.9: 6 residues within 4Å: Chain C: C.75, D.77, G.78, N.79, G.80, T.82 7 PLIP interactions: 7 interactions with chain C Hydrogen bonds: C:D.77, C:N.79, C:N.79, C:G.80, C:T.82, C:T.82 Water bridges: C:T.82

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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