› 4gq6

X-ray diffraction
1.55Å resolution

Human menin in complex with MLL peptide

Released:
DOI: 10.2210/pdb4gq6/pdb
PDB entry 4gq6 coloured by chain, front view.
PDB entry 4gq6 coloured by chain, side view.
PDB entry 4gq6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Shi A, Murai MJ, He S, Lund G, Hartley T, Purohit T, Reddy G, Chruszcz M, Grembecka J, Cierpicki T
Blood 120 4461-9 (2012)
PMID: 22936661

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + a [histone H3]-L-lysine(4) = S-adenosyl-L-homocysteine + a [histone H3]-N(6)-methyl-L-lysine(4)
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
Sequence domain:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126203 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Menin Chain: A
Molecule details ›
Chain: A
Length: 489 amino acids
Theoretical weight: 54.57 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O00255 (Residues: 1-593; Coverage: 79%)
Gene names: MEN1, SCG2
Sequence domains: Menin
MLL cleavage product N320 Chain: B
Molecule details ›
Chain: B
Length: 12 amino acids
Theoretical weight: 1.4 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q03164 (Residues: 6-15; Coverage: 0%)
Gene names: ALL1, CXXC7, HRX, HTRX, KMT2A, MLL, MLL1, TRX1

Ligands and Environments

2 bound ligands:
Ligand SO4 3 x SO4
Ligand 1PE 2 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 48.601Å b: 80.056Å c: 124.551Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.16 0.189
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

42 review citations

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

20 mentions without citation

Challenges and opportunities in targeting the menin-MLL interaction.
Cierpicki et al. (2014)
19 more