MolNFT v1 · #99283 · protein

Crystal structure of BRD4(1) bound to inhibitor XD14

4LYW · Bromodomain-containing protein 4: “Crystal structure of BRD4(1) bound to inhibitor XD14”. X-ray diffraction, 1 ligand (21Q), 1 pocket (best druggability 0.54). MolNFT v1 #99283 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4LYW
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: 21Q
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 4	protein	127	56% helix, 0% strand	O60885

Ligands and binding sites

21Q · 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide · 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	102	0.54	0.83	19	21Q

Compared structures

4LYW · Crystal Structure of BRD4(1) bound to inhibitor XD14 · 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 4LYW · PDBe 4LYW · UniProt O60885

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