MolNFT v1 · #99782 · protein
Structure of a novel submicromolar MDM2 inhibitor
4MDQ · E3 ubiquitin-protein ligase MDM2: “Structure of a novel submicromolar MDM2 inhibitor”. X-ray diffraction, 1 ligand (28W), 1 pocket (best druggability 0.42). MolNFT v1 #99782 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4MDQ
- Type
- protein
- Length
- 86 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
- 28W
- Pockets
- 1 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E3 ubiquitin-protein ligase MDM2 (EC 6.3.2.-) | protein | 86 | 44% helix, 14% strand | Q00987 |
Ligands and binding sites
- 28W · 3-[(1R)-2-(benzylamino)-1-{[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl]-6-chloro-N-hydroxy-1H-indole-2-carboxamide · ligand · 2 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.42 | 0.77 | 18 | 28W |
Compared structures
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 4MDQ · PDBe 4MDQ · UniProt Q00987
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