MolNFT v1 · #161295 · protein
Hdmx (14-111; C17S) complexed with compound 16 at 1.20A; structural states of HDM2 and hdmx: X-ray elucidation of adaptations and binding interactions for different chemical compound classes
6Q9Y · Protein MDM4: “Hdmx (14-111; C17S) complexed with compound 16 at 1.20A; structural states of HDM2 and hdmx: X-ray…”. X-ray diffraction, 1 ligand (HRQ), 1 pocket (best druggability 0.79). MolNFT v1 #161295 on GenesisL1: 3D structure…
- PDB
- 6Q9Y
- Type
- protein
- Length
- 173 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein MDM4
- UniProt
- O15151
- Ligands
- HRQ
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein MDM4 | protein | 85 | 46% helix, 16% strand | O15151 |
| B | Protein MDM4 | protein | 88 | 45% helix, 18% strand | O15151 |
Ligands and binding sites
- HRQ · 7-methoxy-~{N}-[(3~{S})-1-(4-methylphenyl)pyrrolidin-3-yl]-1~{H}-indole-3-carboxamide · ligand · 2 copies · chains A, B
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 | 508 | 0.79 | 0.85 | 50 | HRQ |
Interfaces
1 interface between chains.
- A–B · 943 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6Q9Y · HDMX (14-111; C17S) COMPLEXED WITH COMPOUND 16 AT 1.20A; Structural states of Hdm2 and… · the same entry in another collection · chain A against A, TM-score 1.00
- O15151 · AlphaFold monomer V2.0 prediction for protein MDM4 (O15151) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 O15151
- Elsewhere: RCSB PDB 6Q9Y · PDBe 6Q9Y · UniProt O15151
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