› 4lkf

X-ray diffraction
1.64Å resolution

Crystal Structure of Pseudomonas aeruginosa Lectin LecA Complexed with GalA-WKY at 1.64 A Resolution

Released:
DOI: 10.2210/pdb4lkf/pdb
PDB entry 4lkf coloured by chain, front view.
PDB entry 4lkf coloured by chain, side view.
PDB entry 4lkf coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Structure-based optimization of the terminal tripeptide in glycopeptide dendrimer inhibitors of Pseudomonas aeruginosa biofilms targeting LecA.
Kadam RU, Bergmann M, Garg D, Gabrieli G, Stocker A, Darbre T, Reymond JL
Chemistry 19 17054-63 (2013)
PMID: 24307364

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164735 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
PA-I galactophilic lectin Chains: A, B
Molecule details ›
Chains: A, B
Length: 121 amino acids
Theoretical weight: 12.77 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli
UniProt:
  • Canonical: Q05097 (Residues: 2-122; Coverage: 99%)
Gene names: PA2570, lecA, pa1L
Sequence domains: PA-IL-like protein
Structure domains: Galactose-binding lectin
peptide WKYL Chains: C, D
Molecule details ›
Chains: C, D
Length: 4 amino acids
Theoretical weight: 610 Da
Source organism: Pseudomonas aeruginosa
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand GAL 2 x GAL
Ligand CA 2 x CA
Ligand PHB 2 x PHB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P4322
Unit cell:
a: 95.4Å b: 95.4Å c: 107.361Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.192 0.213
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

7 review citations

From Nanobiotechnology, Positively Charged Biomimetic Dendrimers as Novel Antibacterial Agents: A Review.
Alfei et al. (2020)
6 more

1 mention without citation

Predicting binding sites from unbound versus bound protein structures.
Clark et al. (2020)