MolNFT v1 · #174037 · protein

Inhibitor of MDM2-P53 interaction

7BIV · E3 ubiquitin-protein ligase MDM2: “Inhibitor of MDM2-P53 interaction”. X-ray diffraction, 2 ligands (TUW, SO4), 1 pocket (best druggability 0.46). MolNFT v1 #174037 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7BIV
Type: protein
Length: 92 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: E3 ubiquitin-protein ligase MDM2
EC: 2.3.2.27
UniProt: Q00987
Ligands: TUW, SO4
Pockets: 1 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	E3 ubiquitin-protein ligase MDM2 (EC 2.3.2.27)	protein	92	47% helix, 13% strand	Q00987

Ligands and binding sites

TUW · 6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile · ligand · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A
DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
EDO · 1,2-ethanediol · additive · 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	136	0.46	0.77	24	TUW

Compared structures

7BIV · Inhibitor of MDM2-p53 Interaction · 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 7BIV · PDBe 7BIV · UniProt Q00987

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.