MolNFT v1 · #107729 · protein

Bromodomain of human BRD9 with 7-(3,4-dimethoxyphenyl)-2-(4- methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-C- pyridin-4-one

4UIT · Bromodomain-containing protein 9: “Bromodomain of human BRD9 with 7-(3,4-dimethoxyphenyl)-2-(4…”. X-ray diffraction, 1 ligand (N1D), 1 pocket (best druggability 0.50). MolNFT v1 #107729 on GenesisL1: 3D structure, binding sites and…

PDB: 4UIT
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: N1D
Pockets: 1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 9	protein	101	61% helix, 0% strand	A6NFY8

Ligands and binding sites

N1D · 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	89	0.50	0.82	19	N1D

Compared structures

4UIT · BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-2-(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 4UIT · PDBe 4UIT · UniProt A6NFY8

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