MolNFT v1 · #99214 · protein
The 1.14A crystal structure of humanized xenopus MDM2 with RO5499252
4LWU · E3 ubiquitin-protein ligase MDM2: “The 1.14A crystal structure of humanized xenopus MDM2 with RO5499252”. X-ray diffraction, 2 ligands (20U, SO4), 1 pocket (best druggability 0.45). MolNFT v1 #99214 on GenesisL1: 3D structure…
- PDB
- 4LWU
- Type
- protein
- Length
- 85 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
- P56273
- Ligands
- 20U, SO4
- Pockets
- 1 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E3 ubiquitin-protein ligase MDM2 (EC 6.3.2.-) | protein | 85 | 45% helix, 13% strand | P56273 |
Ligands and binding sites
- 20U · (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide · 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 | 99 | 0.45 | 0.78 | 15 | 20U |
Compared structures
- 4LWU · The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252 · 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 0.93
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 4LWU · PDBe 4LWU · UniProt P56273
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