› 4k6v

X-ray diffraction
1.5Å resolution

Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0407

Released:
DOI: 10.2210/pdb4k6v/pdb
PDB entry 4k6v coloured by chain, front view.
PDB entry 4k6v coloured by chain, side view.
PDB entry 4k6v coloured by chain, top view.
Source organism: Human adenovirus D37
Primary publication:
Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells.
Caraballo R, Saleeb M, Bauer J, Liaci AM, Chandra N, Storm RJ, Frängsmyr L, Qian W, Stehle T, Arnberg N, Elofsson M
Org Biomol Chem 13 9194-205 (2015)
PMID: 26177934

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179159 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Adenoviral fibre protein knob domain-containing protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 194 amino acids
Theoretical weight: 21.72 KDa
Source organism: Human adenovirus D37
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q64823 (Residues: 177-365; Coverage: 52%)
Gene name: L5
Sequence domains: Adenoviral fibre protein (knob domain)
Structure domains: Adenovirus pIV-related, attachment domain

Ligands and Environments

6 bound ligands:
Ligand ZN 3 x ZN
Ligand 18D 3 x 18D
Ligand 1P4 1 x 1P4
Ligand ACT 4 x ACT
Ligand CL 3 x CL
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 61.32Å b: 69.68Å c: 74.78Å
α: 90° β: 94.43° γ: 90°
R-values:
R R work R free
0.135 0.134 0.185
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

Medicinal attributes of 1,2,3-triazoles: Current developments.
Dheer et al. (2017)
8 more