› 1pw6

X-ray diffraction
2.6Å resolution

Low Micromolar Small Molecule Inhibitor of IL-2

Released:
DOI: 10.2210/pdb1pw6/pdb
PDB entry 1pw6 coloured by chain, front view.
PDB entry 1pw6 coloured by chain, side view.
PDB entry 1pw6 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

Assemblies composition:
monomeric (preferred)
homo tetramer
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-158042 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Interleukin-2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 133 amino acids
Theoretical weight: 15.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P60568 (Residues: 21-153; Coverage: 100%)
Gene name: IL2
Sequence domains: Interleukin 2
Structure domains: Growth Hormone; Chain: A;

Ligands and Environments

2 bound ligands:
Ligand SO4 1 x SO4
Ligand FRB 2 x FRB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P4122
Unit cell:
a: 79.889Å b: 79.889Å c: 171.891Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.259 0.258 0.292
Expression system: Escherichia coli BL21

Quick links

Citations

13 review citations

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

11 mentions without citation

Structural conservation of druggable hot spots in protein-protein interfaces.
Kozakov et al. (2011)
10 more