› 5jfr

X-ray diffraction
1.6Å resolution

Potent, Reversible MetAP2 Inhibitors via Fragment Based Drug Discovery

Released:
DOI: 10.2210/pdb5jfr/pdb
PDB entry 5jfr coloured by chain, front view.
PDB entry 5jfr coloured by chain, side view.
PDB entry 5jfr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of potent, reversible MetAP2 inhibitors via fragment based drug discovery and structure based drug design-Part 2.
McBride C, Cheruvallath Z, Komandla M, Tang M, Farrell P, Lawson JD, Vanderpool D, Wu Y, Dougan DR, Plonowski A, Holub C, Larson C
Bioorg Med Chem Lett 26 2779-2783 (2016)
PMID: 27136719

Function and Biology Details

Reaction catalysed: 
Release of N-terminal amino acids, preferentially methionine, from peptides and arylamides.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156226 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Methionine aminopeptidase 2 Chain: A
Molecule details ›
Chain: A
Length: 369 amino acids
Theoretical weight: 41.36 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P50579 (Residues: 110-478; Coverage: 77%)
Gene names: METAP2, MNPEP, P67EIF2
Sequence domains: Metallopeptidase family M24
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand MN 2 x MN
Ligand DMS 1 x DMS
Ligand EDO 1 x EDO
Ligand 6KP 1 x 6KP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: C2221
Unit cell:
a: 89.644Å b: 100.816Å c: 99.445Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.138 0.136 0.171
Expression system: Spodoptera frugiperda

Quick links

Citations

6 citation in other articles

Identification of methionine aminopeptidase 2 as a molecular target of the organoselenium drug ebselen and its derivatives/analogues: Synthesis, inhibitory activity and molecular modeling study.
Węglarz-Tomczak et al. (2016)
5 more

1 mention without citation

In Ovo and In Silico Evaluation of the Anti-Angiogenic Potential of Syringin.
Aventurado et al. (2020)