SMTL ID : 4att.1

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

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.25 Å

Oligo State

monomer

Ligands

1 x HNV: 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside(Non-covalent)

HNV.1: 12 residues within 4Å: Chain A: F.1, I.13, N.46, D.47, Y.48, I.52, D.54, Q.133, N.135, Y.137, D.140, F.142 14 PLIP interactions: 14 interactions with chain A Hydrophobic interactions: A:Y.48, A:Y.48, A:Y.137 Hydrogen bonds: A:F.1, A:N.46, A:D.47, A:Y.48, A:D.54, A:Q.133, A:N.135, A:D.140 Water bridges: A:F.1, A:Y.48, 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

2013-05-22

Peptides

FIMH: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

FIMH

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