MolNFT v1 · #139515 · protein

BRD4 bound with compound BDI4

5XI4 · Bromodomain-containing protein 4: “BRD4 bound with compound BDI4”. X-ray diffraction, 1 ligand (8F0), 1 pocket (best druggability 0.56). MolNFT v1 #139515 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5XI4
Type: protein
Length: 124 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 4
UniProt: O60885
Ligands: 8F0
Pockets: 1 · best druggability 0.56

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	124	53% helix, 0% strand	O60885

Ligands and binding sites

8F0 · (3~{S})-4-cyclopropyl-1,3-dimethyl-6-[[(1~{S})-1-(4-methylphenyl)ethyl]amino]-3~{H}-quinoxalin-2-one · 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	122	0.56	0.83	26	8F0

Compared structures

5XI4 · BRD4 bound with compound Bdi4 · 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 0.97

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 5XI4 · PDBe 5XI4 · UniProt O60885

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