› 6i29

X-ray diffraction
2.1Å resolution

X-ray structure of the p53-MDM2 inhibitor NMI801 bound to HDM2 at 2.1A resolution

Released:
DOI: 10.2210/pdb6i29/pdb
PDB entry 6i29 coloured by chain, front view.
PDB entry 6i29 coloured by chain, side view.
PDB entry 6i29 coloured by chain, top view.
Source organism: Homo sapiens
Entry author: Kallen J

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169503 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
E3 ubiquitin-protein ligase Mdm2 Chain: A
Molecule details ›
Chain: A
Length: 96 amino acids
Theoretical weight: 11.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q00987 (Residues: 17-111; Coverage: 19%)
Gene name: MDM2
Sequence domains: SWIB/MDM2 domain

Ligands and Environments

1 bound ligand:
Ligand H0W 1 x H0W
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: I4132
Unit cell:
a: 121.883Å b: 121.883Å c: 121.883Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.244 0.243 0.277
Expression system: Escherichia coli BL21

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