SMTL ID : 8bxy.1 (1 other biounit)

FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.45 Å

Oligo State

monomer

Ligands

1 x NAG- NAG- BMA- MAN- MAN- FUC: alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose

NAG-NAG-BMA-MAN-MAN-FUC.1: 13 residues within 4Å: Chain A: F.1, I.13, N.46, D.47, Y.48, T.51, I.52, D.54, Q.133, N.135, Y.137, D.140, F.142 2 PLIP interactions: 2 interactions with chain A Water bridges: A:Y.137, A:N.138, A:Y.137, A:Y.137, A:Y.137 Hydrogen bonds: A:T.51

1 x NI: NICKEL (II) ION(Non-covalent)

NI.2: 2 residues within 4Å: Chain A: H.45, D.47 6 PLIP interactions: 2 interactions with chain A, 4 Ligand-Water interactions Metal complexes: A:H.45, A:D.47, H2O.1, H2O.1, H2O.3, H2O.4

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

SO4.3: 2 residues within 4Å: Chain A: Q.59, R.60 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:Q.59 Salt bridges: A:R.60

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Krammer, E.M. et al., Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors. J.Biol.Chem. (2023)

Release Date

2023-04-12

Peptides

Type 1 fimbrin D-mannose specific adhesin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Type 1 fimbrin D-mannose specific adhesin

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