MolNFT v1 · #153583 · protein

BRD4 in complex with 138A

6JJ3 · Bromodomain-containing protein 4: “BRD4 in complex with 138A”. X-ray diffraction, 1 ligand (BS6), 1 pocket (best druggability 0.50). MolNFT v1 #153583 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6JJ3
Type: protein
Length: 125 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 4
UniProt: O60885
Ligands: BS6
Pockets: 1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 4	protein	125	54% helix, 0% strand	O60885

Ligands and binding sites

BS6 · 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide · 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	96	0.50	0.82	20	BS6

Compared structures

6JJ3 · BRD4 in complex with 138A · 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 6JJ3 · PDBe 6JJ3 · UniProt O60885

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