› 1py2

X-ray diffraction
2.8Å resolution

Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2

Released:
DOI: 10.2210/pdb1py2/pdb
PDB entry 1py2 coloured by chain, front view.
PDB entry 1py2 coloured by chain, side view.
PDB entry 1py2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Potent small-molecule binding to a dynamic hot spot on IL-2.
Thanos CD, Randal M, Wells JA
J Am Chem Soc 125 15280-1 (2003)
PMID: 14664558

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158042 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Interleukin-2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 132 amino acids
Theoretical weight: 15.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P60568 (Residues: 21-152; Coverage: 99%)
Gene name: IL2
Sequence domains: Interleukin 2
Structure domains: Growth Hormone; Chain: A;

Ligands and Environments

2 bound ligands:
Ligand FRH 4 x FRH
Ligand ZN 3 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P21
Unit cell:
a: 59.982Å b: 52.448Å c: 89.469Å
α: 90° β: 106.34° γ: 90°
R-values:
R R work R free
0.273 0.271 0.32
Expression system: Escherichia coli

Quick links

Citations

13 review citations

Reaching for high-hanging fruit in drug discovery at protein-protein interfaces.
Wells et al. (2007)
12 more

21 mentions without citation

Small-molecule inhibitors of protein-protein interactions: progressing toward the reality.
Arkin et al. (2014)
20 more