SMTL ID : 4auj.1

FimH lectin domain co-crystal with a alpha-D-mannoside O-linked to para hydroxypropargyl phenyl

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.53 Å

Oligo State

monomer

Ligands

1 x HNW: 4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside(Non-covalent)

HNW.1: 11 residues within 4Å: Chain A: F.1, I.13, N.46, D.47, Y.48, I.52, D.54, Q.133, N.135, D.140, F.142 12 PLIP interactions: 12 interactions with chain A Hydrophobic interactions: A:Y.48, A:Y.48, A:I.52 Hydrogen bonds: A:F.1, A:N.46, A:D.47, A:Y.48, A:D.54, A:Q.133, A:N.135 Water bridges: A:F.1, A:Q.133

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Roos, G. et al., Validation of Reactivity Descriptors to Assess the Aromatic Stacking within the Tyrosine Gate of Fimh. Acs Med.Chem.Lett. (2013)

Release Date

2013-05-29

Peptides

FIMH: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

FIMH

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