MolNFT v1 · #93886 · protein
Crystal structure of an MDM2/NUTLIN-3A complex
4HG7 · E3 ubiquitin-protein ligase MDM2: “Crystal structure of an MDM2/NUTLIN-3A complex”. X-ray diffraction, 2 ligands (NUT, SO4), 1 pocket (best druggability 0.43). MolNFT v1 #93886 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4HG7
- Type
- protein
- Length
- 91 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
- NUT, SO4
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E3 ubiquitin-protein ligase MDM2 (EC 6.3.2.-) | protein | 91 | 46% helix, 13% strand | Q00987 |
Ligands and binding sites
- NUT · 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one · ligand · chains A
- SO4 · Sulfate ion · ion · 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 | 113 | 0.43 | 0.76 | 21 | NUT |
Compared structures
- 4HG7 · Crystal Structure of an MDM2/Nutlin-3a complex · 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 4HG7 · PDBe 4HG7 · UniProt Q00987
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