MolNFT v1 · #163227 · protein

Crystal structure of BRD4(1) bound to inhibitor BUG0 (6)

6RWJ · Bromodomain-containing protein 4: “Crystal structure of BRD4(1) bound to inhibitor BUG0 (6)”. X-ray diffraction, 1 ligand (KLK), 1 pocket (best druggability 0.55). MolNFT v1 #163227 on GenesisL1: 3D structure, binding sites and…

PDB: 6RWJ
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: KLK
Pockets: 1 · best druggability 0.55

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	127	53% helix, 0% strand	O60885

Ligands and binding sites

KLK · ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-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	134	0.55	0.82	26	KLK

Compared structures

6RWJ · Crystal Structure of BRD4(1) bound to inhibitor BUG0 (6) · 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 6RWJ · PDBe 6RWJ · UniProt O60885

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