7TD9: G-059

G-059 bound to the SMARCA4 (BRG1) Bromodomain. Determined by X-ray diffraction at 1.61 Å resolution. Released 17 Aug 2022.

Method: X-ray diffraction
Resolution: 1.61 Å
Organism: Homo sapiens
Chains: 3
Atoms: 3,163
Mol. weight: 46.09 kDa
Ligands: GJN
Released: 17 Aug 2022

Explore 7TD9 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7TD9 contains 24 α-helices and 6 β-strands across 3 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.

Chain AAA: 8 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	1451-1455	5
α-helix	1456-1471	16
β-strand	1473	1	1
β-strand	1480	1	1
α-helix	1481-1485	5
α-helix	1488-1490	3
α-helix	1495-1500	6
α-helix	1507-1515	9
α-helix	1522-1539	18
α-helix	1545-1564	20

Chain BBB: 8 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	1453-1455	3
α-helix	1456-1471	16
β-strand	1473	1	2
β-strand	1480	1	2
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	1545-1564	20

Chain CCC: 8 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	1451-1455	5
α-helix	1456-1471	16
β-strand	1473	1	3
β-strand	1480	1	3
α-helix	1481-1485	5
α-helix	1488-1490	3
α-helix	1495-1500	6
α-helix	1507-1515	9
α-helix	1522-1539	18
α-helix	1545-1561	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Isoform 4 of Transcription activator BRG1	AAA, BBB, CCC	protein	130	Homo sapiens	P51532 (AlphaFold model)

Sequence of entity 1 (AAA, BBB, CCC), FASTA

>7TD9_1 Isoform 4 of Transcription activator BRG1 (chains AAA, BBB, CCC)
GSAEKLSPNPPNLTKKMKKIVDAVIKYKDSSSGRQLSEVFIQLPSRKELPEYYELIRKPV
DFKKIKERIRNHKYRSLNDLEKDVMLLCQNAQTFNLEGSLIYEDSIVLQSVFTSVRQKIE
KEDDSEGEES

Ligands and cofactors

ID	Name	Formula	Copies
GJN	4-phenyl-5H-pyridazino[4,3-b]indol-3-amine	C16 H12 N4	3

Primary citation

GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1. Taylor, A.M., Bailey, C., Belmont, L.D. et al. J Med Chem (2022) 65:11177-11186. DOI 10.1021/acs.jmedchem.2c00662 · 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…
6ZS2 1.57 Å, Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in…
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

Browse structure collections

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