MolNFT v1 · #128862 · protein

Human BRD2(BD2) mutant in complex with et

5O3A · Bromodomain-containing protein 2: “Human BRD2(BD2) mutant in complex with et”. X-ray diffraction, 1 ligand (31P), 1 pocket (best druggability 0.49). MolNFT v1 #128862 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5O3A
Type: protein
Length: 108 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 2
UniProt: P25440
Ligands: 31P
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 2	protein	108	69% helix, 0% strand	P25440

Ligands and binding sites

31P · methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate · 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	123	0.49	0.79	19	31P

Compared structures

5O3A · Human Brd2(BD2) mutant in complex with ET · 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 0.99

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 5O3A · PDBe 5O3A · UniProt P25440

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