MolNFT v1 · #104882 · protein

Co-crystal structure of MDM2 (17-111) with compound 16, {(3R,5R,6S)-5- (3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin- 2-YL)PROPYL]-3-methyl-2-oxopiperidin-3-YL}ACETIC acid

4QO4 · E3 ubiquitin-protein ligase MDM2: “Co-crystal structure of MDM2 (17-111) with compound 16, {(3R,5R,6S)-5…”. X-ray diffraction, 1 ligand (35S), 1 pocket (best druggability 0.49). MolNFT v1 #104882 on GenesisL1: 3D structure, binding…

PDB: 4QO4
Type: protein
Length: 89 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: 35S
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	E3 ubiquitin-protein ligase MDM2 (EC 6.3.2.-)	protein	89	47% helix, 17% strand	Q00987

Ligands and binding sites

35S · {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(1S)-1-(6-cyclopropylpyridin-2-yl)propyl]-3-methyl-2-oxopiperidin-3-yl}acetic acid · 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	141	0.49	0.78	17	35S

Compared structures

4QO4 · co-crystal structure of MDM2 (17-111) with compound 16… · 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 4QO4 · PDBe 4QO4 · UniProt Q00987

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