SMTL ID : 5f3f.1

Crystal structure of para-biphenyl-2-methyl-3'-methyl amide mannoside bound to FimH lectin domain

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.76 Å

Oligo State

monomer

Ligands

1 x 5US: 3-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}-methyl-benzamide(Non-covalent)

5US.1: 15 residues within 4Å: Chain A: F.1, I.13, G.14, N.46, D.47, Y.48, I.52, D.54, R.98, Q.133, N.135, Y.137, N.138, D.140, F.142 15 PLIP interactions: 15 interactions with chain A Hydrophobic interactions: A:Y.48, A:Y.48, A:I.52, A:Y.137 Hydrogen bonds: A:F.1, A:D.47, A:D.54, A:R.98, A:Q.133, A:Q.133, A:N.135 Water bridges: A:F.1, A:Q.133, A:N.138 pi-Stacking: A:Y.48

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Zhenfu, H. et al., Antibiotic-sparing therapy against gram-negative UPEC bacteria: Potent anti-virulence activity of FimH C-mannoside antagonists. To Be Published

Release Date

2016-12-07

Peptides

Protein FimH: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Protein FimH

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