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Crystal structure of BRD2(BD2)WITH ligand zb-bd-224 bound

Analyse Crystal structure of BRD2(BD2)WITH ligand zb-bd-224 bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7DPO
Type: protein
Length: 111 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 2
UniProt: P25440
Ligands: HFU
Pockets: 1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 2	protein	111	63% helix, 0% strand	P25440

Ligands and binding sites

HFU · 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4, 5-dihydro-2,3A1,5-triazadibenzo[cd,h]azulen-1(2H)-one · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	180	0.56	0.80	23	HFU

Compared structures

7DPO · Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound · 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 0.96

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 7DPO · PDBe 7DPO · UniProt P25440

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