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First bromodomain of brdt liganded with compound 2C

Analyse First bromodomain of brdt liganded with compound 2C in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7UUU
Type: protein
Length: 113 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain testis-specific protein
UniProt: Q58F21
Ligands: OFR
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain testis-specific protein	protein	113	60% helix, 0% strand	Q58F21

Ligands and binding sites

OFR · Prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2, 3-d]pyrimidine-6-carboxylate · ligand · chains A
EDO · 1,2-ethanediol · additive · 4 copies · 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	94	0.51	0.82	20	OFR

Compared structures

7UUU · First bromodomain of BRDT liganded with compound 2c · the same entry in another collection · chain A against A, TM-score 1.00
Q58F21 · AlphaFold monomer V2.0 prediction for bromodomain testis-specific protein (Q58F21) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q58F21
Elsewhere: RCSB PDB 7UUU · PDBe 7UUU · UniProt Q58F21

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