SMTL ID : 7mzr.1

Crystal structure of the UcaD lectin-binding domain in complex with glucose

Coordinates

PDB Format Compare

Method

X-RAY DIFFRACTION 1.78 Å

Oligo State

monomer

Ligands

1 x BGC: beta-D-glucopyranose(Non-covalent)

BGC.1: 10 residues within 4Å: Chain A: Q.44, Y.45, Y.104, W.105, D.121, N.133, T.136, S.138, F.139, G.140 11 PLIP interactions: 11 interactions with chain A Hydrogen bonds: A:Q.44, A:Q.44, A:Q.44, A:W.105, A:T.136, A:S.138, A:G.140 Water bridges: A:D.121, A:D.121, A:N.133, A:N.133

6 x CL: CHLORIDE ION(Non-functional Binders)

CL.2: 3 residues within 4Å: Chain A: L.64, K.163, Q.164 Ligand excluded by PLIP CL.3: 2 residues within 4Å: Chain A: R.174, A.175 Ligand excluded by PLIP CL.4: 5 residues within 4Å: Chain A: N.73, F.74, N.79, F.85, L.110 Ligand excluded by PLIP CL.5: 4 residues within 4Å: Chain A: P.10, I.11, T.12, N.43 Ligand excluded by PLIP CL.6: 3 residues within 4Å: Chain A: N.43, Q.44, Y.45 Ligand excluded by PLIP CL.7: 4 residues within 4Å: Chain A: N.14, T.17, T.39, T.41 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Hancock, S.J. et al., Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli. Plos Pathog. (2022)

Release Date

2022-07-06

Peptides

Fimbrial adhesin UcaD: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Fimbrial adhesin UcaD

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