MolNFT v1 · #102158 · protein
Co-crystal structure of MDM2 with inhibitor compound 47
4ODF · E3 ubiquitin-protein ligase MDM2: “Co-crystal structure of MDM2 with inhibitor compound 47”. X-ray diffraction, 1 ligand (2U1), 1 pocket (best druggability 0.58). MolNFT v1 #102158 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4ODF
- Type
- protein
- Length
- 99 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E3 ubiquitin-protein ligase MDM2
- EC
- 6.3.2.-
- UniProt
- Q00987
- Ligands
- 2U1
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E3 ubiquitin-protein ligase MDM2 (EC 6.3.2.-) | protein | 99 | 45% helix, 15% strand | Q00987 |
Ligands and binding sites
- 2U1 · 6-{[(2S,5R,6R)-4-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxomorpholin-2-yl]methyl}pyridine-3-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 186 | 0.58 | 0.80 | 20 | 2U1 |
Compared structures
- 4ODF · Co-Crystal Structure of MDM2 with Inhibitor Compound 47 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q00987
- Elsewhere: RCSB PDB 4ODF · PDBe 4ODF · UniProt Q00987
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