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

Crystal structure of dimethylated RSLex - cucurbituril free form

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.14 Å

Oligo State

homo-trimer

Ligands

6 x BDF: beta-D-fructopyranose(Non-covalent)

BDF.1: 11 residues within 4Å: Chain A: R.16, E.27, C.29, D.31, Y.36, G.38, A.39, F.40, I.60, W.75, W.80 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:R.16, A:E.27, A:E.27, A:Y.36, A:Y.36, A:A.39, A:F.40 BDF.2: 11 residues within 4Å: Chain A: R.61, E.72, C.74, D.76, Y.81, G.83, A.84, Y.85 Chain B: I.15, W.30, W.35 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:R.61, A:E.72, A:Y.81, A:Y.81, A:A.84, A:Y.85 BDF.3: 11 residues within 4Å: Chain B: R.16, Y.18, E.27, C.29, Y.36, G.38, A.39, F.40, I.60, W.75, W.80 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:R.16, B:E.27, B:E.27, B:Y.36, B:A.39, B:F.40 BDF.4: 12 residues within 4Å: Chain B: W.52, R.61, E.72, C.74, D.76, Y.81, G.83, A.84, Y.85 Chain C: I.15, W.30, W.35 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:R.61, B:E.72, B:E.72, B:Y.81, B:Y.81, B:A.84, B:Y.85 BDF.5: 12 residues within 4Å: Chain A: I.15, W.30, W.35 Chain C: R.61, Y.63, E.72, C.74, D.76, Y.81, G.83, A.84, Y.85 7 PLIP interactions: 7 interactions with chain C Hydrogen bonds: C:R.61, C:E.72, C:E.72, C:Y.81, C:Y.81, C:A.84, C:Y.85 BDF.6: 14 residues within 4Å: Chain C: W.9, R.16, Y.18, E.27, C.29, D.31, Y.36, G.38, A.39, F.40, I.58, I.60, W.75, W.80 7 PLIP interactions: 7 interactions with chain C Hydrogen bonds: C:R.16, C:E.27, C:E.27, C:Y.36, C:Y.36, C:A.39, C:F.40

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Guagnini, F. et al., Engineered assembly of a protein-cucurbituril biohybrid. Chem.Commun.(Camb.) (2020)

Release Date

2020-02-19

Peptides

Fucose-binding lectin protein: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
D

C
E

Fucose-binding lectin protein

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