SMTL ID : 6f7y.1 (1 other biounit)

Crystal structure of dimethylated RSL, cucurbituril-free form

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.60 Å

Oligo State

homo-trimer

Ligands

9 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 7 residues within 4Å: Chain A: R.17, E.28, A.40, F.41, I.61, W.76, W.81 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:R.17, A:A.40, A:F.41 GOL.2: 7 residues within 4Å: Chain A: R.62, E.73, A.85, Y.86 Chain B: I.16, W.31, W.36 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:R.62, A:E.73, A:A.85, A:Y.86 GOL.3: 5 residues within 4Å: Chain A: A.40, F.41, N.42, E.43, W.81 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:N.42 GOL.4: 7 residues within 4Å: Chain B: R.17, E.28, A.40, F.41, I.61, W.76, W.81 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:R.17, B:A.40, B:F.41 GOL.5: 7 residues within 4Å: Chain B: R.62, E.73, A.85, Y.86 Chain C: I.16, W.31, W.36 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:R.62, B:E.73, B:A.85, B:Y.86 GOL.6: 5 residues within 4Å: Chain B: A.40, F.41, N.42, E.43, W.81 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:N.42 GOL.7: 7 residues within 4Å: Chain C: R.17, E.28, A.40, F.41, I.61, W.76, W.81 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:R.17, C:A.40, C:F.41 GOL.8: 7 residues within 4Å: Chain A: I.16, W.31, W.36 Chain C: R.62, E.73, A.85, Y.86 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:R.62, C:E.73, C:A.85, C:Y.86 GOL.9: 5 residues within 4Å: Chain C: A.40, F.41, N.42, E.43, W.81 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:N.42

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Guagnini, F. et al., Cucurbit[7]uril-Dimethyllysine Recognition in a Model Protein. Angew. Chem. Int. Ed. Engl. (2018)

Release Date

2018-05-30

Peptides

Fucose-binding lectin protein: ABC

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

Fucose-binding lectin protein

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