› 4gq4

X-ray diffraction
1.27Å resolution

Human menin with bound inhibitor MI-2-2

Released:
DOI: 10.2210/pdb4gq4/pdb
PDB entry 4gq4 coloured by chain, front view.
PDB entry 4gq4 coloured by chain, side view.
PDB entry 4gq4 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

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126199 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
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

Ligands and Environments

6 bound ligands:
Ligand 0RT 1 x 0RT
Ligand UNX 5 x UNX
Ligand EPE 1 x EPE
Ligand SO4 4 x SO4
Ligand PE4 2 x PE4
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 49.044Å b: 80.16Å c: 124.812Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.151 0.149 0.182
Expression system: Escherichia coli

Quick links

Citations

43 review citations

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

11 mentions without citation

Targeting protein-protein interactions in hematologic malignancies: still a challenge or a great opportunity for future therapies?
Cierpicki et al. (2015)
10 more