SMTL ID : 4xoe.1

Crystal structure of a FimH*DsG complex from E.coli F18 with bound heptyl alpha-D-mannopyrannoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.40 Å

Oligo State

hetero-1-1-mer

Ligands

1 x KGM: heptyl alpha-D-mannopyranoside(Non-covalent)

KGM.1: 15 residues within 4Å: Chain A: F.1, I.13, G.14, N.46, D.47, Y.48, T.51, I.52, D.54, Q.133, N.135, Y.137, N.138, D.140, F.142 12 PLIP interactions: 12 interactions with chain A Hydrophobic interactions: A:Y.48, A:T.51, A:I.52, A:Y.137 Hydrogen bonds: A:F.1, A:D.47, A:D.54, A:D.54, A:Q.133, A:N.135, A:D.140 Water bridges: A:F.1

1 x CAC: CACODYLATE ION(Non-covalent)

CAC.2: 7 residues within 4Å: Chain A: Y.175, V.263, T.264 Chain B: V.11, V.12, A.13, K.14 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Sauer, M.M. et al., Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun (2016)

Release Date

2016-01-27

Peptides

FimH protein: A
FimG protein: B

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

FimH protein

FimG protein

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