8QB2: BRPF1 bromodomain

Crystal Structure of BRPF1 bromodomain in complex with acetyl-pyrrole derivative compound 79. Determined by X-ray diffraction at 1.42 Å resolution. Released 11 Sept 2024.

Method: X-ray diffraction
Resolution: 1.42 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,092
Mol. weight: 14.13 kDa
Ligands: GKI
Released: 11 Sept 2024

Explore 8QB2 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8QB2 contains 5 α-helices and 0 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: 5 helices, 0 β-strands

Element	Residues	Length
α-helix	630-647	18
α-helix	665-667	3
α-helix	675-683	9
α-helix	690-707	18
α-helix	713-737	25

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Peregrin	A	protein	116	Homo sapiens	P55201 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8QB2_1 Peregrin (chains A)
SMEMQLTPFLILLRKTLEQLQEKDTGNIFSEPVPLSEVPDYLDHIKKPMDFFTMKQNLEA
YRYLNFDDFEEDFNLIVSNCLKYNAKDTIFYRAAVRLREQGGAVLRQARRQAEKMG

Ligands and cofactors

ID	Name	Formula	Copies
GKI	1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrro…	C19 H28 N4 O S	1

Water and common crystallization additives (NO3) are not listed.

Primary citation

Enhanced cellular death in liver and breast cancer cells by dual BET/BRPF1 inhibitors. Cazzanelli, G., Dalle Vedove, A., Sbardellati, N. et al. Protein Sci (2024) 33:e5191-e5191. DOI 10.1002/pro.5191 · PubMed

Other PDB entries of the same protein (UniProt P55201 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5MWZ 1.25 Å, Crystal structure of the human BRPF1 bromodomain in complex with BZ073
3L42 1.3 Å, PWWP domain of human bromodomain and PHD finger containing protein 1
5C6S 1.3 Å, Human Bromodomain and PHD Finger Containing 1, PWWP domain in complex with XST005904a
5FFV 1.3 Å, Crystal structure of the bromodomain of human BRPF1 in complex with H3K14ac histone…
5O5F 1.3 Å, Crystal structure of the human BRPF1 bromodomain in complex with BZ038
5ETB 1.33 Å, Crystal structure of the human BRPF1 bromodomain in complex with SEED13
5D7X 1.35 Å, Crystal structure of the human BRPF1 bromodomain in complex with XZ08
7C4I 1.37 Å, High resolution structure of BRPF1 Bromo Domain from Biortus
5EM3 1.4 Å, Crystal structure of the human BRPF1 bromodomain in complex with SEED9
5ETD 1.4 Å, Crystal structure of the human BRPF1 bromodomain in complex with SEED14
8QAZ 1.4 Å, Crystal Structure of BRPF1 bromodomain in complex with acetyl-pyrrole derivative…
5EV9 1.45 Å, Crystal structure of the human BRPF1 bromodomain in complex with SEED15

Browse structure collections

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