MolNFT v1 · #68550 · protein

Crystal structure of MDM2 with chromenotriazolopyrimidine 1

3JZK · E3 ubiquitin-protein ligase MDM2: “Crystal structure of MDM2 with chromenotriazolopyrimidine 1”. X-ray diffraction, 1 ligand (YIN), 1 pocket (best druggability 0.45). MolNFT v1 #68550 on GenesisL1: 3D structure, binding sites and…

PDB: 3JZK
Type: protein
Length: 93 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: YIN
Pockets: 1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	E3 ubiquitin-protein ligase MDM2 (EC 6.3.2.-)	protein	93	38% helix, 14% strand	Q00987

Ligands and binding sites

YIN · (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine · 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	116	0.45	0.77	21	YIN

Compared structures

3JZK · crystal structure of MDM2 with chromenotriazolopyrimidine 1 · 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 3JZK · PDBe 3JZK · UniProt Q00987

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