› 9emr

X-ray diffraction
1.9Å resolution

Crystal Structure of DC-SIGN in complex with AL90

Released:
DOI: 10.2210/pdb9emr/pdb
PDB entry 9emr coloured by chain, front view.
PDB entry 9emr coloured by chain, side view.
PDB entry 9emr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Thermodynamics-Guided Design Reveals a Cooperative Hydrogen Bond in DC-SIGN-targeted Glycomimetics.
Nemli DD, Jiang X, Jakob RP, Gloder LM, Schwardt O, Rabbani S, Maier T, Ernst B, Cramer J
J Med Chem 67 13813-13828 (2024)
PMID: 38771131

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192443 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DC-SIGN, CRD domain Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 159 amino acids
Theoretical weight: 18.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9NNX6 (Residues: 250-404; Coverage: null%)
Gene names: CD209, CLEC4L
Sequence domains: Lectin C-type domain

Ligands and Environments

2 bound ligands:
Ligand CA 9 x CA
Ligand A1H5Y 3 x A1H5Y
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: C2
Unit cell:
a: 103.861Å b: 59.866Å c: 75.227Å
α: 90° β: 91.39° γ: 90°
R-values:
R R work R free
0.161 0.159 0.194
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Unprecedented selectivity for homologous lectin targets: differential targeting of the viral receptors L-SIGN and DC-SIGN.
Delaunay et al. (2024)