› 4r6r

X-ray diffraction
1.38Å resolution

Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity.

Released:
DOI: 10.2210/pdb4r6r/pdb
PDB entry 4r6r coloured by chain, front view.
PDB entry 4r6r coloured by chain, side view.
PDB entry 4r6r coloured by chain, top view.
Source organism: Artocarpus integer
Primary publication:
Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Abhinav KV, Sharma K, Swaminathan CP, Surolia A, Vijayan M
Acta Crystallogr D Biol Crystallogr 71 324-31 (2015)
PMID: 25664742

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
hetero octamer
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148427 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Agglutinin alpha chain Chains: A, C, E, G
Molecule details ›
Chains: A, C, E, G
Length: 133 amino acids
Theoretical weight: 14.67 KDa
Source organism: Artocarpus integer
UniProt:
  • Canonical: P18670 (Residues: 1-133; Coverage: 100%)
Sequence domains: Jacalin-like lectin domain
Structure domains: Jacalin-like lectin domain
Agglutinin beta-3 chain Chains: B, D, F, H
Molecule details ›
Chains: B, D, F, H
Length: 19 amino acids
Theoretical weight: 1.94 KDa
Source organism: Artocarpus integer
UniProt:
  • Canonical: P18673 (Residues: 2-20; Coverage: 95%)

Ligands and Environments

3 bound ligands:
Ligand 147 3 x 147
Ligand EDO 10 x EDO
Ligand IPA 1 x IPA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P21
Unit cell:
a: 58.44Å b: 80.25Å c: 62.97Å
α: 90° β: 107.68° γ: 90°
R-values:
R R work R free
0.179 0.178 0.207

Quick links

Citations

4 citation in other articles

Effect of linkage on the location of reducing and nonreducing sugars bound to jacalin.
Abhinav et al. (2016)
3 more