8HLQ: Poly [ADP-ribose] polymerase 2

Name: PDB 8HLQ: Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Niraparib (MK-4827)
Published: 2024-05-01
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: transferase

Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Niraparib (MK-4827). Determined by X-ray diffraction at 2.7 Å resolution. Released 1 May 2024.

Method: X-ray diffraction
Resolution: 2.7 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,730
Mol. weight: 80.85 kDa
Ligands: 3JD
Released: 1 May 2024

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

Secondary structure: helices and β-sheets

8HLQ contains 37 α-helices and 37 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: 17 helices, 20 β-strands

Element	Residues	Length	Sheet
α-helix	236-245	10
α-helix	248-257	10
β-strand	260	1	1
α-helix	267-269	3
α-helix	272-290	19
α-helix	296-308	13
β-strand	311	1	1
α-helix	317-320	4
α-helix	324-347	24
β-strand	352	1	2
β-strand	355	1	2
α-helix	357-365	9
β-strand	367-371	5	3
α-helix	377-387	11
β-strand	397-409	13	3
β-strand	423-429	7	3
α-helix	432-434	3
α-helix	435-441	7
α-helix	445-447	3
β-strand	461-463	3	4
β-strand	464	1	3
α-helix	467-471	5
α-helix	472-474	3
β-strand	482-491	10	3
β-strand	495-498	4	4
β-strand	514-517	4	4
β-strand	519	1	5
β-strand	521-523	3	6
α-helix	525-527	3
β-strand	529-530	2	3
β-strand	535-536	2	3
β-strand	541-543	3	6
α-helix	552-553	2
β-strand	554	1	5
β-strand	558-561	4	4
α-helix	564-566	3
β-strand	567-579	13	3

Chain B: 20 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	236-245	10
α-helix	248-256	9
β-strand	260	1	7
α-helix	267-269	3
α-helix	272-290	19
α-helix	296-308	13
β-strand	311	1	7
α-helix	317-320	4
α-helix	324-347	24
α-helix	356-365	10
β-strand	367-372	6	8
α-helix	377-388	12
β-strand	397-409	13	8
α-helix	412-415	4
β-strand	423-429	7	8
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	9
β-strand	464	1	8
α-helix	467-471	5
α-helix	472-474	3
β-strand	482-491	10	8
β-strand	495-498	4	9
α-helix	505-508	4
β-strand	514-517	4	9
β-strand	521-523	3	10
α-helix	525-527	3
β-strand	529-530	2	8
β-strand	535-536	2	8
α-helix	540	1
β-strand	541-543	3	10
β-strand	556	1	10
β-strand	558-561	4	9
α-helix	564-566	3
β-strand	567-579	13	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Poly [ADP-ribose] polymerase 2	A, B	protein	353	Homo sapiens	Q9UGN5 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>8HLQ_1 Poly [ADP-ribose] polymerase 2 (chains A, B)
GPESQLDLRVQELIKLICNVQAMEEMMMEMKYNTKKAPLGKLTVAQIKAGYQSLKKIEDC
IRAGQHGRALMEACNEFYTRIPHDFGLRTPPLIRTQKELSEKIQLLEALGDIEIAIKLVK
SERQGLEHPLDQHYRNLHCALRPLDHESYEFKVISQYLQSTHAPTHSDYTMTLLDLFEVE
KDGEKEAFREDLHNRMLLWHGSRMSNWVGILSHGLRIAPPEAPITGYMFGKGIYFADMSS
KSANYCFASRLKNTGLLLLSEVALGQCNELLEANPKAEGLLQGKHSTKGLGKMAPSSAHF
VTLNGSTVPLGPASDTGILNPDGYTLNYNEYIVYNPNQVRMRYLLKVQFNFLQ

Ligands and cofactors

ID	Name	Formula	Copies
3JD	2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide	C19 H20 N4 O	2

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

Primary citation

Engaging an engineered PARP-2 catalytic domain mutant to solve the complex structures harboring approved drugs for structure analyses. Wang, X., Zhou, J., Xu, B. Bioorg Chem (2025) 160:108471-108471. DOI 10.1016/j.bioorg.2025.108471 · 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
4ZZY 2.2 Å, Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor
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…

Browse structure collections

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