SMTL ID : 5muc.1 (1 other biounit)

Crystal structure of the FimH lectin domain in complex with 1,5-Anhydromannitol

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.60 Å

Oligo State

monomer

Ligands

1 x AH2: 1-deoxy-alpha-D-mannopyranose(Non-covalent)

AH2.1: 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, N.138, D.140, F.142 11 PLIP interactions: 11 interactions with chain A Hydrogen bonds: A:F.1, A:D.47, A:Y.48, A:D.54, A:D.54, A:Q.133, A:N.135, A:D.140, A:D.140 Water bridges: A:F.1, A:G.14

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Zihlmann, P. et al., KinITC-One Method Supports both Thermodynamic and Kinetic SARs as Exemplified on FimH Antagonists. Chemistry (2018)

Release Date

2018-02-14

Peptides

Protein FimH: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Protein FimH

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