Research workbench

Structure of the BRD9 bromodomain and compound 15

Analyse Structure of the BRD9 bromodomain and compound 15 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6Y7J
Type: protein
Length: 226 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 9
UniProt: Q9H8M2
Ligands: OF5, CL
Pockets: 2 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 9	protein	113	63% helix, 0% strand	Q9H8M2
B	Bromodomain-containing protein 9	protein	113	63% helix, 0% strand	Q9H8M2

Ligands and binding sites

OF5 · 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone · ligand · 2 copies · chains A, B
CL · Chloride ion · ion · chains B
ACT · Acetate ion · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	128	0.56	0.83	20	OF5
2	160	0.55	0.80	24	OF5

Interfaces

1 interface between chains.

A–B · 197 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6Y7J · Structure of the BRD9 bromodomain and compound 15 · the same entry in another collection · chain A against A, TM-score 1.00
Q9H8M2 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 9 (Q9H8M2) · a predicted model of the same protein · chain B against A, TM-score 0.93

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 Q9H8M2
Elsewhere: RCSB PDB 6Y7J · PDBe 6Y7J · UniProt Q9H8M2

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