MolNFT v1 · #181652 · protein

Triazole-based bet family bromodomain inhibitor bound to BRD4(D1)

7M16 · Bromodomain-containing protein 4: “Triazole-based bet family bromodomain inhibitor bound to BRD4(D1)”. X-ray diffraction, 1 ligand (YNS), 1 pocket (best druggability 0.52). MolNFT v1 #181652 on GenesisL1: 3D structure, binding sites…

PDB: 7M16
Type: protein
Length: 123 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 4
UniProt: O60885
Ligands: YNS
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 4	protein	123	53% helix, 0% strand	O60885

Ligands and binding sites

YNS · 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	131	0.52	0.80	25	YNS

Compared structures

7M16 · Triazole-based BET family bromodomain inhibitor bound to BRD4(D1) · the same entry in another collection · chain A against A, TM-score 1.00
O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 O60885
Elsewhere: RCSB PDB 7M16 · PDBe 7M16 · UniProt O60885

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