SMTL ID : 5aap.1

Complex of the FimH lectin with a C-linked para-biphenyl methylene alpha-D-mannoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.30 Å

Oligo State

monomer

Ligands

1 x VNY: PARA-BIPHENYL METHYLENE C-LINKED MANNOSIDE(Non-covalent)

VNY.1: 13 residues within 4Å: Chain A: F.1, I.13, G.14, N.46, D.47, Y.48, I.52, D.54, Q.133, N.135, Y.137, D.140, F.142 11 PLIP interactions: 11 interactions with chain A Hydrophobic interactions: A:D.47, A:Y.48, A:Y.48, A:I.52 Hydrogen bonds: A:F.1, A:N.46, A:D.47, A:Y.48, A:Q.133, A:N.135, A:D.140

1 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)

EDO.2: 2 residues within 4Å: Chain A: N.138, S.139 2 PLIP interactions: 2 interactions with chain A Water bridges: A:S.139, A:S.139

1 x GOL: GLYCEROL(Non-functional Binders)

GOL.3: 3 residues within 4Å: Chain A: G.14, G.15, G.16 4 PLIP interactions: 4 interactions with chain A Water bridges: A:G.14, A:G.16, A:G.16, A:Q.143

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

De Ruyck, J. et al., Structures of C-Mannosylated Anti-Adhesives Bound to the Type 1 Fimbrial Fimh Adhesin. Iucrj (2016)

Release Date

2016-03-09

Peptides

FIMH: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

FIMH

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