Research workbench

BRD9 with 4-chloro-2-methyl-methylamino-pyridazinone

Analyse BRD9 with 4-chloro-2-methyl-methylamino-pyridazinone in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6YQW
Type: protein
Length: 101 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 9
UniProt: Q9H8M2
Ligands: 82I
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 62% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 9	protein	101	62% helix, 0% strand	Q9H8M2

Ligands and binding sites

82I · 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-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	76	0.52	0.85	19	82I

Compared structures

6YQW · BRD9 with 4-chloro-2-methyl-methylamino-pyridazi · 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 A against A, TM-score 0.99

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 6YQW · PDBe 6YQW · UniProt Q9H8M2

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