Brand  (β version)

PDB ID: 4GPJ

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
0Q1 (1r)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1h-inden-1-ol PoSSuM
EDO 1,2-ethanediol PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4GPJ   PDBj   RCSB PDB   PDBe
Header : PROTEIN BINDING/INHIBITOR
Title : Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand
Release Data : 2012-10-17
Compound :
mol_id molecule chains synonym
1 Bromodomain-containing protein 4 A Protein HUNK1
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: BRD4, HUNK1
expression_system_strain: BL21(DE3)-R3
expression_system_vector_type: Plasmid
expression_system_plasmid: pNIC28-Bsa4
Authors : Filippakopoulos, P., Picaud, S., Qi, J., Felletar, I., Heightman, T.D., Brennan, P., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Knapp, S., Structural Genomics Consortium (SGC)
Keywords : BROMODOMAIN, CAP, HUNK1, MCAP, MITOTIC CHROMOSOME ASSOCIATED PROTEIN, STRUCTURAL GENOMICS CONSORTIUM, SGC, CELL CYCLE, PROTEIN BINDING-INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 1.6000 Å )
Citation :

The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.

Hay, D.,Fedorov, O.,Filippakopoulos, P.  et al.
(2013)  Medchemcomm  4 : 140 - 144

PubMed: 26682033
DOI: 10.1039/C2MD20189E

Reaction

Chain : A
UniProt : O60885 (BRD4_HUMAN)
Reaction : -