6ZS2: Transcription activator BRG1

Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol. Determined by X-ray diffraction at 1.57 Å resolution. Released 7 Oct 2020.

Method: X-ray diffraction
Resolution: 1.57 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,298
Mol. weight: 29.13 kDa
Ligands: FX5
Released: 7 Oct 2020

Explore 6ZS2 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6ZS2 contains 16 α-helices and 4 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chains A and B: 8 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	1453-1455	3
α-helix	1456-1471	16
β-strand	1473	1	1
β-strand	1480	1	1
α-helix	1483-1485	3
α-helix	1488-1490	3
α-helix	1495-1500	6
α-helix	1507-1515	9
α-helix	1522-1539	18
α-helix	1545-1565	21

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Transcription activator BRG1	A, B	protein	121	Homo sapiens	P51532 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>6ZS2_1 Transcription activator BRG1 (chains A, B)
SMLSPNPPNLTKKMKKIVDAVIKYKDSSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFK
KIKERIRNHKYRSLNDLEKDVMLLCQNAQTFNLEGSLIYEDSIVLQSVFTSVRQKIEKED
D

Ligands and cofactors

ID	Name	Formula	Copies
FX5	2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol	C14 H18 N5 O	2

Water and common crystallization additives (EDO) are not listed.

Primary citation

Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. Wanior, M., Preuss, F., Ni, X. et al. J Med Chem (2020) 63:14680-14699. DOI 10.1021/acs.jmedchem.0c01242 · PubMed

Other PDB entries of the same protein (UniProt P51532 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7TAB 1.16 Å, G-925 bound to the SMARCA4 (BRG1) Bromodomain
2GRC 1.5 Å, 1.5 A structure of bromodomain from human BRG1 protein, a central ATPase of SWI/SNF…
7TD9 1.61 Å, G-059 bound to the SMARCA4 (BRG1) Bromodomain
6HR2 1.76 Å, Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and…
3UVD 1.85 Å, Crystal Structure of the bromodomain of human Transcription activator BRG1 (SMARCA4) in…
5DKD 2.0 Å, Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3…
5EA1 2.0 Å, Crystal Structure of SMARCA4 bromodomain in complex with MPD
9DTX 2.11 Å, Crystal structure of PRT3789 in complex with the bromodomain of human BRG1 (SMARCA4) and…
7VRB 2.39 Å, Structure of the Human BRG1/SS18 complex
9UXC 2.74 Å, The ADP-bound structure of BCL7B-containing ARP module of the human SWI/SNF complex
7VDT 2.8 Å, The motor-nucleosome module of human chromatin remodeling PBAF-nucleosome complex
9WBZ 2.9 Å, The structure of NCP-motor-ARP module of ncBAF-nucleosome complex

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