MolNFT v1 · #139495 · protein

Crystal structure of the BRD2-BD2 in complex with phenanthridinone

5XHK · Bromodomain-containing protein 2: “Crystal structure of the BRD2-BD2 in complex with phenanthridinone”. X-ray diffraction, 2 ligands (2ME, LDR), 1 pocket (best druggability 0.49). MolNFT v1 #139495 on GenesisL1: 3D structure…

PDB: 5XHK
Type: protein
Length: 115 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 2
UniProt: P25440
Ligands: 2ME, LDR
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 2	protein	115	67% helix, 0% strand	P25440

Ligands and binding sites

2ME · Methoxyethane · ligand · chains A
LDR · phenanthridin-6(5H)-one · ligand · chains A
GOL · Glycerol · additive · 2 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	109	0.49	0.80	19	LDR

Compared structures

5XHK · Crystal structure of the BRD2-BD2 in complex with phenanthridi · the same entry in another collection · chain A against A, TM-score 1.00
P25440 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 2 (P25440) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 P25440
Elsewhere: RCSB PDB 5XHK · PDBe 5XHK · UniProt P25440

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