MolNFT v1 · #45369 · protein

MDMX-057

2N0U · Protein MDM4: “MDMX-057”. Solution nmr, 1 ligand (48M), 1 pocket (best druggability 0.34). MolNFT v1 #45369 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2N0U
Type: protein
Length: 89 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein MDM4
UniProt: O15151
Ligands: 48M
Pockets: 1 · best druggability 0.34

Structure

solution nmr · 1 distinct chain · 44% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein MDM4	protein	89	44% helix, 11% strand	O15151

Ligands and binding sites

48M · 4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	63	0.34	0.76	14	48M

Compared structures

2N0U · Mdmx-057 · 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 0.85

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 2N0U · PDBe 2N0U · UniProt O15151

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