PDBsum entry 4lys

Protein binding/inhibitor

PDB id: 4lys

Contents

Protein chain

124 a.a.

Ligands

2SJ

Metals

_NA ×2

Waters ×121

PDB id:

4lys

Name:

Protein binding/inhibitor

Title:

Crystal structure of brd4(1) bound to colchiceine

Structure:

Bromodomain-containing protein 4. Chain: a. Fragment: first bromodomain domain (unp residues 44-168). Synonym: protein hunk1. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: brd4, hunk1. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

1.83Å R-factor: 0.219 R-free: 0.267

Authors:

D.Wohlwend,S.Gerhardt,O.Einsle

Key ref:

X.Lucas et al. (2013). 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew Chem Int Ed Engl, 52, 14055-14059. PubMed id: 24272870 DOI: 10.1002/anie.201307652

Date:

31-Jul-13 Release date: 15-Jan-14

Protein chain

O60885  (BRD4_HUMAN) -  Bromodomain-containing protein 4 from Homo sapiens

Seq: 1362 a.a.

Struc: 124 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

DOI no: 10.1002/anie.201307652

Angew Chem Int Ed Engl 52:14055-14059 (2013)

PubMed id: 24272870

4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.

X.Lucas, D.Wohlwend, M.Hügle, K.Schmidtkunz, S.Gerhardt, R.Schüle, M.Jung, O.Einsle, S.Günther.

ABSTRACT

Bromodomains are acetyllysine epigenetic mark reader proteins. Small molecules inhibiting them have potential as anti-inflammatory, antiviral, and anticancer agents. A 4-acyl pyrrole derivative (see yellow structure in recognition pocket) has been identified that potently inhibits specific bromodomains and exhibits antiproliferative activity against leukemia cell lines.