MolNFT v1 · #128868 · protein

Human BRD2(BD2) mutant in complex with al-AM1

5O3G · Bromodomain-containing protein 2: “Human BRD2(BD2) mutant in complex with al-AM1”. X-ray diffraction, 1 ligand (9J8), 3 pockets (best druggability 0.54). MolNFT v1 #128868 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5O3G
Type: protein
Length: 219 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 2
UniProt: P25440
Ligands: 9J8
Pockets: 3 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 2	protein	110	69% helix, 0% strand	P25440
B	Bromodomain-containing protein 2	protein	109	69% helix, 0% strand	P25440

Ligands and binding sites

9J8 · (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-pent-4-enamide · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	287	0.54	0.76	29	empty
2	139	0.53	0.80	19	9J8
3	147	0.52	0.79	19	9J8

Interfaces

1 interface between chains.

A–B · 305 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

5O3G · Human Brd2(BD2) mutant in complex with AL-Am1 · 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 B against A, TM-score 0.99

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 5O3G · PDBe 5O3G · UniProt P25440

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