› 4k6t

X-ray diffraction
2Å resolution

Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0385

Released:
DOI: 10.2210/pdb4k6t/pdb
PDB entry 4k6t coloured by chain, front view.
PDB entry 4k6t coloured by chain, side view.
PDB entry 4k6t 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, E, F, G
Molecule details ›
Chains: A, B, C, E, F, G
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

9 bound ligands:
Ligand SIA 6 x SIA
Ligand ZN 14 x ZN
Ligand ACT 9 x ACT
Ligand EDO 13 x EDO
Ligand CL 1 x CL
Ligand 1P0 1 x 1P0
Ligand MG 6 x MG
Ligand GOL 3 x GOL
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21
Unit cell:
a: 74.94Å b: 67.18Å c: 121.43Å
α: 90° β: 96.81° γ: 90°
R-values:
R R work R free
0.161 0.16 0.2
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