› 4lwt

X-ray diffraction
1.6Å resolution

The 1.6A Crystal Structure of Humanized Xenopus MDM2 with RO5027344

Released:
DOI: 10.2210/pdb4lwt/pdb
PDB entry 4lwt coloured by chain, front view.
PDB entry 4lwt coloured by chain, side view.
PDB entry 4lwt coloured by chain, top view.
Source organism: Xenopus laevis
Primary publication:
Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Zhang Z, Ding Q, Liu JJ, Zhang J, Jiang N, Chu XJ, Bartkovitz D, Luk KC, Janson C, Tovar C, Filipovic ZM, Higgins B, Glenn K, Packman K, Vassilev LT, Graves B
Bioorg Med Chem 22 4001-9 (2014)
PMID: 24997575

Function and Biology Details

Reaction catalysed: 
S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine + [acceptor protein]-L-lysine = [E2 ubiquitin-conjugating enzyme]-L-cysteine + N(6)-ubiquitinyl-[acceptor protein]-L-lysine
Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157449 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
E3 ubiquitin-protein ligase Mdm2 Chain: A
Molecule details ›
Chain: A
Length: 86 amino acids
Theoretical weight: 9.96 KDa
Source organism: Xenopus laevis
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P56273 (Residues: 20-105; Coverage: 18%)
Gene name: mdm2
Sequence domains: SWIB/MDM2 domain
Structure domains: SWIB/MDM2 domain

Ligands and Environments

2 bound ligands:
Ligand 20Q 1 x 20Q
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X8C
Spacegroup: C2221
Unit cell:
a: 43.066Å b: 67.976Å c: 67.168Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.223 0.222 0.247
Expression system: Escherichia coli BL21

Quick links

Citations

9 review citations

Targeting transcription factors in cancer - from undruggable to reality.
Bushweller JH. (2019)
8 more