MolNFT v1 · #107732 · protein

Bromodomain of human BRD9 with N-(1,1-dioxo-1-thian-4-yl)-5-ethyl-4- oxo-7-3-(TRIFLUOROMETHYL)PHENYL-4H,5H-thieno-3,2-C-pyridine-2- carboximidamide

4UIW · Bromodomain-containing protein 9: “Bromodomain of human BRD9 with N-(1,1-dioxo-1-thian-4-yl)-5-ethyl-4…”. X-ray diffraction, 1 ligand (H1B), 1 pocket (best druggability 0.54). MolNFT v1 #107732 on GenesisL1: 3D structure, binding…

PDB: 4UIW
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: A6NFY8
Ligands: H1B
Pockets: 1 · best druggability 0.54

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	A6NFY8

Ligands and binding sites

H1B · N'-[1,1-bis(oxidanylidene)thian-4-yl]-5-ethyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide · ligand · chains A
EDO · 1,2-ethanediol · additive · 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	106	0.54	0.83	20	H1B

Compared structures

4UIW · BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-ethyl-4… · the same entry in another collection · chain A against A, TM-score 1.00

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 A6NFY8
Elsewhere: RCSB PDB 4UIW · PDBe 4UIW · UniProt A6NFY8

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