MolNFT v1 · #23226 · protein
NMR structure of a complex between MDM2 and a small molecule inhibitor
1TTV · Ubiquitin-protein ligase E3 MDM2: “NMR structure of a complex between MDM2 and a small molecule inhibitor”. Solution nmr, 1 ligand (IMY), 1 pocket (best druggability 0.35). MolNFT v1 #23226 on GenesisL1: 3D structure, binding sites…
- PDB
- 1TTV
- Type
- protein
- Length
- 107 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ubiquitin-protein ligase E3 MDM2
- EC
- 6.3.2.-
- UniProt
- P56273
- Ligands
- IMY
- Pockets
- 1 · best druggability 0.35
Structure
solution nmr · 1 distinct chain · 36% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ubiquitin-protein ligase E3 MDM2 (EC 6.3.2.-) | protein | 107 | 36% helix, 12% strand | P56273 |
Ligands and binding sites
- IMY · 1-{[4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}piperazine · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.35 | 0.76 | 16 | IMY |
Compared structures
- 1TTV · NMR Structure of a Complex Between MDM2 and a Small Molecule Inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P56273 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase MDM2 (P56273) · a predicted model of the same protein · chain A against A, TM-score 0.82
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 P56273
- Elsewhere: RCSB PDB 1TTV · PDBe 1TTV · UniProt P56273
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