MolNFT v1 · #114555 · protein

Crystal structure of BRD2 second bromodomain in complex with sgc-CBP30 chemical probe

5BT5 · Bromodomain-containing protein 2: “Crystal structure of BRD2 second bromodomain in complex with sgc-CBP30 chemical probe”. X-ray diffraction, 1 ligand (2LO), 1 pocket (best druggability 0.52). MolNFT v1 #114555 on GenesisL1: 3D…

PDB: 5BT5
Type: protein
Length: 110 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 2
UniProt: P25440
Ligands: 2LO
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 2	protein	110	65% helix, 0% strand	P25440

Ligands and binding sites

2LO · 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole · 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	115	0.52	0.81	19	empty

Compared structures

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 0.98

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 5BT5 · PDBe 5BT5 · UniProt P25440

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