SMTL ID : 5h47.1 (11 other biounits)

Crystal structure of AOL complexed with 2-MeSe-Fuc

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.30 Å

Oligo State

monomer

Ligands

6 x FSW: methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside(Non-covalent)

FSW.1: 6 residues within 4Å: Chain A: R.25, E.37, L.69, I.72, Y.88, W.94 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:L.69, A:I.72, A:Y.88 Hydrogen bonds: A:E.37, A:W.94 Water bridges: A:R.25 Salt bridges: A:R.25 FSW.2: 9 residues within 4Å: Chain A: R.73, E.85, Y.95, G.97, A.98, L.123, L.125, W.141, W.146 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:L.123, A:L.125 Hydrogen bonds: A:E.85, A:A.98, A:L.99, A:W.146 Salt bridges: A:R.73 FSW.3: 8 residues within 4Å: Chain A: R.126, E.138, M.140, G.149, T.150, I.176, Y.192, W.198 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:I.176, A:Y.192 Hydrogen bonds: A:R.126, A:E.138, A:T.150, A:W.198 Salt bridges: A:R.126 FSW.4: 8 residues within 4Å: Chain A: W.166, Y.168, R.177, Q.189, Y.199, I.227, M.229, W.245 6 PLIP interactions: 6 interactions with chain A Hydrophobic interactions: A:W.166, A:I.227 Hydrogen bonds: A:Q.189, A:Q.189 Water bridges: A:Y.199 Salt bridges: A:R.177 FSW.5: 8 residues within 4Å: Chain A: R.230, Q.242, C.244, D.253, R.255, P.274, L.276, W.294 9 PLIP interactions: 9 interactions with chain A Hydrophobic interactions: A:P.274, A:L.276, A:W.294 Hydrogen bonds: A:Y.232, A:Q.242, A:Q.242 Water bridges: A:R.230, A:R.230 Salt bridges: A:R.230 FSW.6: 8 residues within 4Å: Chain A: N.22, L.24, Y.40, W.44, W.271, R.277, E.291, G.303 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:N.22, A:Y.40, A:W.271 Hydrogen bonds: A:W.44, A:E.291, A:R.304 Water bridges: A:R.277 Salt bridges: A:R.277

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Shimabukuro, J. et al., Synthesis of seleno-fucose compounds and their application to the X-ray structural determination of carbohydrate-lectin complexes using single/multi-wavelength anomalous dispersion phasing. Bioorg. Med. Chem. (2017)

Release Date

2017-01-25

Peptides

Uncharacterized protein: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Uncharacterized protein

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