SMTL ID : 6aro.1 (1 other biounit)

F9 pilus adhesin FmlH lectin domain from E. coli UTI89 co-crystallized with 8-hydroxyquinoline beta-galactoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.20 Å

Oligo State

monomer

Ligands

1 x BS7: 8-hydroxyquinoline beta-galactopyranoside(Non-covalent)

BS7.1: 11 residues within 4Å: Chain A: F.1, S.2, N.44, D.45, Y.46, D.51, D.53, K.132, A.134, G.139, N.140 11 PLIP interactions: 11 interactions with chain A Hydrophobic interactions: A:D.45, A:Y.46 Hydrogen bonds: A:F.1, A:F.1, A:D.45, A:D.53, A:K.132, A:G.139, A:N.140 Water bridges: A:F.1, A:R.142

1 x SO4: SULFATE ION(Non-functional Binders)

SO4.2: 4 residues within 4Å: Chain A: G.47, D.96, K.97, T.98 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:G.48, A:K.97, A:T.98, A:T.98 Water bridges: A:D.96, A:D.96, A:T.98, A:T.98

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Kalas, V. et al., Structure-based discovery of glycomimetic FmlH ligands as inhibitors of bacterial adhesion during urinary tract infection. Proc.Natl.Acad.Sci.USA (2018)

Release Date

2018-02-28

Peptides

F9 pilus adhesin FmlH: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

F9 pilus adhesin FmlH

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