SMTL ID : 4buq.1 (1 other biounit)

Crystal structure of wild type FimH lectin domain in complex with heptyl alpha-D-mannopyrannoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.20 Å

Oligo State

monomer

Ligands

1 x KGM: heptyl alpha-D-mannopyranoside(Non-covalent)

KGM.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 11 PLIP interactions: 11 interactions with chain A Hydrophobic interactions: A:Y.48, A:Y.48 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:G.14

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

2014-02-19

Peptides

FIMH: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

FIMH

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