8AG2: BPTF bromodomain

Crystal structure of the BPTF bromodomain in complex with BI-7190. Determined by X-ray diffraction at 1.02 Å resolution. Released 31 Aug 2022.

Method: X-ray diffraction
Resolution: 1.02 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,294
Mol. weight: 14.62 kDa
Ligands: M1I
Released: 31 Aug 2022

Explore 8AG2 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8AG2 contains 10 α-helices and 2 β-strands across 1 chain. 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 A: 10 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	2795-2796	2
β-strand	2801	1	1
α-helix	2802	1
α-helix	2804-2819	16
α-helix	2821-2826	6
α-helix	2829-2831	3
α-helix	2832-2834	3
α-helix	2838-2841	4
α-helix	2848-2856	9
β-strand	2862	1	1
α-helix	2863-2880	18
α-helix	2886-2908	23

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Nucleosome-remodeling factor subunit BPTF	A	protein	121	Homo sapiens	Q12830

Sequence of entity 1 (A), FASTA

>8AG2_1 Nucleosome-remodeling factor subunit BPTF (chains A)
STEDAMTVLTPLTEKDYEGLKRVLRSLQAHKMAWPFLEPVDPNDAPDYYGVIKEPMDLAT
MEERVQRRYYEKLTEFVADMTKIFDNCRYYNPSDSPFYQCAEVLESFFVQKLKGFKASRS
H

Ligands and cofactors

ID	Name	Formula	Copies
M1I	5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-p…	C23 H31 N3 O2	1

Primary citation

Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments. Martinelli, P., Schaaf, O., Mantoulidis, A. et al. ChemMedChem (2023) 18:e202200686-e202200686. DOI 10.1002/cmdc.202200686 · PubMed

Other PDB entries of the same protein (UniProt Q12830), best resolution first:

5R4O 1.05 Å, PanDDA analysis group deposition of ground-state model of BROMODOMAIN OF HUMAN…
5R4M 1.11 Å, PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN…
5R4L 1.13 Å, PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN…
5R4K 1.17 Å, PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN…
5R4H 1.18 Å, PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN…
7K6S 1.23 Å, Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing…
5R4G 1.25 Å, PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN…
5R4I 1.28 Å, PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN…
5R4N 1.28 Å, PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN…
9ZUK 1.35 Å, Crystal structure of BPTF bromodomain bound to BZ1
5R4J 1.39 Å, PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN…
7LPK 1.39 Å, Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112

Browse structure collections

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