7LPK: BPTF bromodomain

Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112. Determined by X-ray diffraction at 1.39 Å resolution. Released 10 Aug 2022.

Method: X-ray diffraction
Resolution: 1.39 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,346
Mol. weight: 30.05 kDa
Ligands: Y9P
Released: 10 Aug 2022

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

Secondary structure: helices and β-sheets

7LPK contains 20 α-helices and 0 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.

Chain A: 10 helices, 0 β-strands

Element	Residues	Length
α-helix	2918-2925	8
α-helix	2927-2928	2
α-helix	2930-2945	16
α-helix	2950-2952	3
α-helix	2955-2957	3
α-helix	2958-2960	3
α-helix	2964-2967	4
α-helix	2974-2982	9
α-helix	2989-3006	18
α-helix	3012-3034	23

Chain B: 10 helices, 0 β-strands

Element	Residues	Length
α-helix	2916-2925	10
α-helix	2927-2928	2
α-helix	2930-2945	16
α-helix	2947-2952	6
α-helix	2955-2957	3
α-helix	2958-2960	3
α-helix	2964-2967	4
α-helix	2974-2982	9
α-helix	2989-3006	18
α-helix	3012-3036	25

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Nucleosome-remodeling factor subunit BPTF	A, B	protein	123	Homo sapiens	Q12830

Sequence of entity 1 (A, B), FASTA

>7LPK_1 Nucleosome-remodeling factor subunit BPTF (chains A, B)
SMSTEDAMTVLTPLTEKDYEGLKRVLRSLQAHKMAWPFLEPVDPNDAPDYYGVIKEPMDL
ATMEERVQRRYYEKLTEFVADMTKIFDNCRYYNPSDSPFYQCAEVLESFFVQKLKGFKAS
RSH

Ligands and cofactors

ID	Name	Formula	Copies
Y9P	4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one	C9 H13 Cl N4 O	2

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

Primary citation

New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. Zahid, H., Buchholz, C.R., Singh, M. et al. J Med Chem (2021) 64:13902-13917. DOI 10.1021/acs.jmedchem.1c01294 · PubMed

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

8AG2 1.02 Å, Crystal structure of the BPTF bromodomain in complex with BI-7190
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…

Browse structure collections

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