SMTL ID : 6map.1

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

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.08 Å

Oligo State

monomer

Ligands

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

SO4.1: 5 residues within 4Å: Chain A: A.64, G.65, S.66, V.124, R.127 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:G.65, A:S.66, A:V.124 Water bridges: A:R.127, A:R.127, A:R.127 Salt bridges: A:R.127 SO4.4: 4 residues within 4Å: Chain A: T.52, H.54, D.93, T.135 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:D.93, A:T.135 Water bridges: A:T.52, A:T.135 Salt bridges: A:H.54

2 x JC4: 2'-(beta-D-galactopyranosyloxy)-5-nitro[1,1'-biphenyl]-3-carboxylic acid(Non-covalent)

JC4.2: 15 residues within 4Å: Chain A: F.1, S.2, S.10, I.11, G.12, N.44, D.45, Y.46, D.51, D.53, K.132, A.134, G.139, N.140, R.142 11 PLIP interactions: 11 interactions with chain A Hydrophobic interactions: A:D.45, A:Y.46 Hydrogen bonds: A:F.1, A:N.44, A:D.45, A:D.53, A:K.132, A:N.140 Water bridges: A:R.142 Salt bridges: A:K.132, A:R.142 JC4.3: 8 residues within 4Å: Chain A: N.56, V.58, N.88, H.129, M.130, Y.131, N.143, F.144 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:H.129, A:Y.131, A:N.143 Water bridges: A:N.143, A:N.143, A:N.143 pi-Stacking: A:Y.131

2 x GOL: GLYCEROL(Non-functional Binders)

GOL.5: 3 residues within 4Å: Chain A: D.6, Y.19, N.151 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:D.6 Water bridges: A:N.151 GOL.6: 8 residues within 4Å: Chain A: V.20, N.21, L.22, V.33, V.34, D.35, Q.38, H.39 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:N.21, A:N.21, A:N.21, A:D.35

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 5-nitro-2'-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[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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