SMTL ID : 6gy9.1

Fucose-functionalized precision glycomacromolecules targeting human norovirus capsid protein

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.83 Å

Oligo State

homo-dimer

Ligands

1 x KBA: 2-(1H-1,2,3-triazol-1-yl)ethyl 6-deoxy-alpha-L-galactopyranoside(Non-covalent)

KBA.1: 7 residues within 4Å: Chain A: A.130, N.131, R.132, D.161 Chain B: G.226, G.227, Y.228 7 PLIP interactions: 2 interactions with chain B, 5 interactions with chain A Hydrophobic interactions: B:Y.228, A:A.130 Hydrogen bonds: B:G.227, A:N.131, A:R.132, A:R.132, A:D.161

3 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)

EDO.2: 6 residues within 4Å: Chain A: R.75, G.76, V.137, S.155, T.156, W.157 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:S.155 EDO.3: 4 residues within 4Å: Chain B: N.85, L.86, N.87, L.101 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:L.86, B:N.87, B:N.87 EDO.4: 4 residues within 4Å: Chain B: V.137, S.155, T.156, W.157 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:S.155

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Bucher, K.S. et al., Fucose-Functionalized Precision Glycomacromolecules Targeting Human Norovirus Capsid Protein. Biomacromolecules (2018)

Release Date

2018-08-22

Peptides

Capsid protein: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Capsid protein

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