SMTL ID : 6maq.1

F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside 2'-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-nitro-[1,1'-biphenyl]-3-carboxylic acid

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.31 Å

Oligo State

monomer

Ligands

2 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 3 residues within 4Å: Chain A: D.6, Y.19, N.151 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:D.6, A:D.6, A:N.151, A:N.151 Water bridges: A:D.6, A:Y.19 GOL.2: 4 residues within 4Å: Chain A: S.9, S.10, I.11, T.16 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:S.9, A:S.10 Water bridges: A:T.15

2 x JCD: 2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}-5-nitro[1,1'-biphenyl]-3-carboxylic acid(Non-covalent)

JCD.3: 16 residues within 4Å: Chain A: F.1, S.2, S.10, I.11, G.12, N.44, D.45, Y.46, Y.50, D.51, D.53, K.132, A.134, G.139, N.140, R.142 16 PLIP interactions: 16 interactions with chain A Hydrophobic interactions: A:D.45, A:Y.46, A:N.140 Hydrogen bonds: A:F.1, A:D.45, A:D.51, A:D.53, A:D.53, A:K.132, A:R.142, A:R.142 Water bridges: A:S.10, A:S.10, A:Y.46, A:N.140 Salt bridges: A:K.132 JCD.4: 10 residues within 4Å: Chain A: N.56, V.58, Q.59, N.88, H.129, M.130, Y.131, N.143, F.144, T.145 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:V.58, A:H.129, A:Y.131, A:N.143 Hydrogen bonds: A:N.56, A:N.88 Water bridges: A:N.143 pi-Stacking: A:Y.131

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Klein, R.D. et al., F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside 2'-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-nitro-[1,1'-biphenyl]-3-carboxylic acid. To Be Published

Release Date

2019-09-04

Peptides

Fimbrial adhesin FmlD: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
B

Fimbrial adhesin FmlD

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