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BRD4_BROMODOMAIN1-A1376855

Analyse BRD4_BROMODOMAIN1-A1376855 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5UVW
Type: protein
Length: 324 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 4
UniProt: O60885
Ligands: 8NG, SO4
Pockets: 4 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Bromodomain-containing protein 4	protein	109	61% helix, 0% strand	O60885
B	Bromodomain-containing protein 4	protein	106	63% helix, 0% strand	O60885

Ligands and binding sites

8NG · N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl) phenyl]ethanesulfonamide · ligand · 3 copies · chains A, B, C
SO4 · Sulfate ion · ion · 2 copies · chains A, B, C

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	495	0.72	0.81	46	8NG, SO4
2	111	0.50	0.81	19	8NG
3	125	0.43	0.76	14	empty
4	106	0.41	0.77	18	empty

Interfaces

2 interfaces between chains.

B–C · 380 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 372 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5UVW · BRD4_Bromodomain1-A1376855 · the same entry in another collection · chain A against A, TM-score 1.00
O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · 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 O60885
Elsewhere: RCSB PDB 5UVW · PDBe 5UVW · UniProt O60885

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