› 7a12

X-ray diffraction
2Å resolution

CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GW557358X (COMPOUND 9)

Released:
DOI: 10.2210/pdb7a12/pdb
PDB entry 7a12 coloured by chain, front view.
PDB entry 7a12 coloured by chain, side view.
PDB entry 7a12 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Hirst DJ, Brandt M, Bruton G, Christodoulou E, Cutler L, Deeks N, Goodacre JD, Jack T, Lindon M, Miah A, Page K, Parr N, Shukla L, Sims M, Thomas P, Thorpe J, Holmes DS
Bioorg Med Chem Lett 30 127533 (2020)
PMID: 32919012

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: 371 amino acids
Theoretical weight: 41.51 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: P50579 (Residues: 108-478; Coverage: 78%)
Gene names: METAP2, MNPEP, P67EIF2
Sequence domains: Metallopeptidase family M24

Ligands and Environments

3 bound ligands:
Ligand PO4 9 x PO4
Ligand QVK 1 x QVK
Ligand MN 2 x MN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: C2221
Unit cell:
a: 88.424Å b: 100.628Å c: 99.031Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.178 0.198
Expression system: unidentified baculovirus

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Citations

1 citations in other articles

Design, Synthesis, and Biological Evaluation of a Series of 5- and 7-Hydroxycoumarin Derivatives as 5-HT1A Serotonin Receptor Antagonists.
Ostrowska et al. (2021)

4 mentions without citation

The role of prion strain diversity in the development of successful therapeutic treatments.
Holec et al. (2020)
3 more