› 3mu6

X-ray diffraction
2.43Å resolution

Inhibiting the Binding of Class IIa Histone Deacetylases to Myocyte Enhancer Factor-2 by Small Molecules

Released:
DOI: 10.2210/pdb3mu6/pdb
PDB entry 3mu6 coloured by chain, front view.
PDB entry 3mu6 coloured by chain, side view.
PDB entry 3mu6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Inhibition of the function of class IIa HDACs by blocking their interaction with MEF2.
Jayathilaka N, Han A, Gaffney KJ, Dey R, Jarusiewicz JA, Noridomi K, Philips MA, Lei X, He J, Ye J, Gao T, Petasis NA, Chen L
Nucleic Acids Res 40 5378-88 (2012)
PMID: 22396528

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-116588 (preferred)
Entry contents:
1 distinct polypeptide molecule
2 distinct DNA molecules
Macromolecules (3 distinct):
Myocyte-specific enhancer factor 2A Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 71 amino acids
Theoretical weight: 8.4 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q02078 (Residues: 2-72; Coverage: 14%)
Gene names: MEF2, MEF2A
Sequence domains: SRF-type transcription factor (DNA-binding and dimerisation domain)
Structure domains: Transcription factor, MADS-box
DNA (5'-D(*AP*AP*AP*GP*CP*TP*AP*TP*TP*AP*TP*TP*AP*GP*CP*TP*T)-3') Chains: E, G
Molecule details ›
Chains: E, G
Length: 17 nucleotides
Theoretical weight: 5.2 KDa
Source organism: Homo sapiens
Expression system: Not provided
DNA (5'-D(*TP*AP*AP*GP*CP*TP*AP*AP*TP*AP*AP*TP*AP*GP*CP*TP*T)-3') Chains: F, H
Molecule details ›
Chains: F, H
Length: 17 nucleotides
Theoretical weight: 5.21 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand BXL 1 x BXL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: P1
Unit cell:
a: 41.567Å b: 61.622Å c: 61.478Å
α: 114.12° β: 89.99° γ: 89.95°
R-values:
R R work R free
0.231 0.23 0.251
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

10 review citations

Targeting Histone Deacetylases in Diseases: Where Are We?
Benedetti et al. (2015)
9 more

5 mentions without citation

Inhibition of the function of class IIa HDACs by blocking their interaction with MEF2.
Jayathilaka et al. (2012)
4 more