MolNFT v1 · #99812 · protein

Crystal structure of the first bromodomain of human BRD4 in complex with a 3-chloro-pyridone ligand

4MEP · Bromodomain-containing protein 4: “Crystal structure of the first bromodomain of human BRD4 in complex with a 3-chloro-pyridone ligand”. X-ray diffraction, 1 ligand (24Y), 1 pocket (best druggability 0.51). MolNFT v1 #99812 on…

PDB: 4MEP
Type: protein
Length: 127 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 4
UniProt: O60885
Ligands: 24Y
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 4	protein	127	55% helix, 0% strand	O60885

Ligands and binding sites

24Y · 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-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	91	0.51	0.83	19	24Y

Compared structures

4MEP · Crystal Structure of the first bromodomain of human BRD4 in complex with a… · 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 4MEP · PDBe 4MEP · UniProt O60885

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