4ZZY: Human PARP2 catalytic domain

Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor. Determined by X-ray diffraction at 2.2 Å resolution. Released 12 Aug 2015.

Method: X-ray diffraction
Resolution: 2.2 Å
Organism: HOMO SAPIENS
Chains: 1
Atoms: 2,904
Mol. weight: 41.5 kDa
Ligands: D7N
Released: 12 Aug 2015

Explore 4ZZY in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4ZZY contains 20 α-helices and 15 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: 20 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	236-245	10
α-helix	248-257	10
α-helix	267-269	3
α-helix	272-290	19
α-helix	296-308	13
α-helix	317-320	4
α-helix	324-346	23
α-helix	348-350	3
α-helix	357-365	9
β-strand	367-371	5	1
α-helix	377-388	12
β-strand	397-409	13	1
α-helix	412-415	4
β-strand	423-429	7	1
α-helix	432-434	3
α-helix	435-441	7
α-helix	445-447	3
α-helix	452-454	3
β-strand	461-463	3	2
β-strand	464	1	1
α-helix	467-471	5
α-helix	472-474	3
β-strand	482-491	10	1
β-strand	495-498	4	2
α-helix	507-509	3
β-strand	514-517	4	2
β-strand	521-523	3	3
α-helix	525-527	3
β-strand	529-531	3	1
β-strand	534-536	3	1
β-strand	541-543	3	3
β-strand	556	1	3
β-strand	558-561	4	2
α-helix	564-566	3
β-strand	567-579	13	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Poly [ADP-ribose] polymerase 2	A	protein	363	HOMO SAPIENS	Q9UGN5 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4ZZY_1 POLY [ADP-RIBOSE] POLYMERASE 2 (chains A)
GPSLKSPLKPESQLDLRVQELIKLICNVQAMEEMMMEMKYNTKKAPLGKLTVAQIKAGYQ
SLKKIEDCIRAGQHGRALMEACNEFYTRIPHDFGLRTPPLIRTQKELSEKIQLLEALGDI
EIAIKLVKTELQSPEHPLDQHYRNLHCALRPLDHESYEFKVISQYLQSTHAPTHSDYTMT
LLDLFEVEKDGEKEAFREDLHNRMLLWHGSRMSNWVGILSHGLRIAPPEAPITGYMFGKG
IYFADMSSKSANYCFASRLKNTGLLLLSEVALGQCNELLEANPKAEGLLQGKHSTKGLGK
MAPSSAHFVTLNGSTVPLGPASDTGILNPDGYTLNYNEYIVYNPNQVRMRYLLKVQFNFL
QLW

Ligands and cofactors

ID	Name	Formula	Copies
D7N	2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-iso…	C20 H24 F3 N3 O2	1

Primary citation

Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy. Papeo, G.M.E., Posteri, H., Borghi, D. et al. J Med Chem (2015) 58:6875. DOI 10.1021/ACS.JMEDCHEM.5B00680 · PubMed

Other PDB entries of the same protein (UniProt Q9UGN5 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4ZZX 1.65 Å, Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor
5D5K 1.9 Å, Crystal Structure NLS from human PARP-2 complexed with Importin alpha delta IBB
3KJD 1.95 Å, Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor…
3KCZ 2.0 Å, Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor…
7R59 2.0 Å, PARP2 catalytic domain in complex with OUL245
4TVJ 2.1 Å, Human ARTD2 (PARP2) - catalytic domain in complex with olaparib
8HKO 2.1 Å, Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Rucaparib
9IM8 2.1 Å, Mutated ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrimidine…
9ZQB 2.1 Å, Nucleosome with an SSB at SHL -2.8 in complex with human PARP2 and HPF1, Class 1
6F1K 2.2 Å, Structure of ARTD2/PARP2 WGR domain bound to double strand DNA without 5'phosphate
8HLJ 2.24 Å, Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Olaparib…
9ZQC 2.37 Å, Nucleosome with an SSB at SHL -2.8 in complex with human PARP2 and HPF1, Class 2

Browse structure collections

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