MolNFT v1 · #135966 · protein

BRD4_BD2_A-581577

5UEP · Bromodomain-containing protein 4: “BRD4_BD2_A-581577”. X-ray diffraction, 1 ligand (88P), 1 pocket (best druggability 0.49). MolNFT v1 #135966 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5UEP
Type: protein
Length: 109 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 4
UniProt: O60885
Ligands: 88P
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 4	protein	109	68% helix, 0% strand	O60885

Ligands and binding sites

88P · ethyl 3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate · 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	106	0.49	0.80	18	88P

Compared structures

5UEP · BRD4_BD2_A-581577 · 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 0.96

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 5UEP · PDBe 5UEP · UniProt O60885

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