› 4c16

X-ray diffraction
1.93Å resolution

E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic antagonist

Released:
DOI: 10.2210/pdb4c16/pdb
PDB entry 4c16 coloured by chain, front view.
PDB entry 4c16 coloured by chain, side view.
PDB entry 4c16 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
E-selectin ligand complexes adopt an extended high-affinity conformation.
Preston RC, Jakob RP, Binder FP, Sager CP, Ernst B, Maier T
J Mol Cell Biol 8 62-72 (2016)
PMID: 26117840

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147771 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
E-selectin Chains: A, B
Molecule details ›
Chains: A, B
Length: 280 amino acids
Theoretical weight: 31.31 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P16581 (Residues: 22-301; Coverage: 48%)
Gene names: ELAM1, SELE
Sequence domains:
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand NAG 14 x NAG
Ligand CA 2 x CA
Ligand 4WC 2 x 4WC
Ligand GAL 2 x GAL
Ligand Q6Z 2 x Q6Z
Ligand FUC 2 x FUC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P1
Unit cell:
a: 52.582Å b: 56.917Å c: 59.684Å
α: 74.4° β: 87.11° γ: 88.26°
R-values:
R R work R free
0.183 0.18 0.232
Expression system: Cricetulus griseus

Quick links

Citations

8 review citations

Mammalian sugar-binding receptors: known functions and unexplored roles.
Taylor et al. (2019)
7 more

5 mentions without citation

Glycomimetics for the inhibition and modulation of lectins.
Leusmann et al. (2023)
4 more