2n8a

1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break

Method: SOLUTION NMR

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Poly [ADP-ribose] polymerase 1

Homo sapiens

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein–DNA	Monomer	Protein 1 DNA 1	DNA (45-MER) × 1 ZINC ION × 2	Consistent with all polymers

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PARP1_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–214； UniProt 1–214

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	2n8a
Deposition date deposition_date	2015-10-08
Structure title title	1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break
Keywords keywords	TRANSFERASE; TRANSFERASE
Experimental Method method	SOLUTION NMR

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

2n8a__assembly_1__model_45

Assembly 1 · Model 45 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

2n8a__assembly_1__model_45 | I(q)

100 plotted points; both axes use logarithmic scales.

2n8a__assembly_1__model_45 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	27.92 Å
Rg (electron density)	26.66 Å
Total Rg	27.21 Å
Atom count	4788
Residues	259
Excluded volume	43373 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`2n8a__assembly_1__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	2	`2n8a__assembly_1__model_2`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	3	`2n8a__assembly_1__model_3`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	4	`2n8a__assembly_1__model_4`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	5	`2n8a__assembly_1__model_5`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	6	`2n8a__assembly_1__model_6`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	7	`2n8a__assembly_1__model_7`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	8	`2n8a__assembly_1__model_8`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	9	`2n8a__assembly_1__model_9`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	10	`2n8a__assembly_1__model_10`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	11	`2n8a__assembly_1__model_11`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	12	`2n8a__assembly_1__model_12`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	13	`2n8a__assembly_1__model_13`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	14	`2n8a__assembly_1__model_14`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	15	`2n8a__assembly_1__model_15`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	16	`2n8a__assembly_1__model_16`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	17	`2n8a__assembly_1__model_17`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	18	`2n8a__assembly_1__model_18`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	19	`2n8a__assembly_1__model_19`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	20	`2n8a__assembly_1__model_20`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	21	`2n8a__assembly_1__model_21`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	22	`2n8a__assembly_1__model_22`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	23	`2n8a__assembly_1__model_23`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	24	`2n8a__assembly_1__model_24`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	25	`2n8a__assembly_1__model_25`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	26	`2n8a__assembly_1__model_26`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	27	`2n8a__assembly_1__model_27`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	28	`2n8a__assembly_1__model_28`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	29	`2n8a__assembly_1__model_29`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	30	`2n8a__assembly_1__model_30`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	31	`2n8a__assembly_1__model_31`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	32	`2n8a__assembly_1__model_32`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	33	`2n8a__assembly_1__model_33`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	34	`2n8a__assembly_1__model_34`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	35	`2n8a__assembly_1__model_35`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	36	`2n8a__assembly_1__model_36`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	37	`2n8a__assembly_1__model_37`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	38	`2n8a__assembly_1__model_38`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	39	`2n8a__assembly_1__model_39`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	40	`2n8a__assembly_1__model_40`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	41	`2n8a__assembly_1__model_41`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	42	`2n8a__assembly_1__model_42`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	43	`2n8a__assembly_1__model_43`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	44	`2n8a__assembly_1__model_44`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	45	`2n8a__assembly_1__model_45`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	46	`2n8a__assembly_1__model_46`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	47	`2n8a__assembly_1__model_47`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	48	`2n8a__assembly_1__model_48`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	49	`2n8a__assembly_1__model_49`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	50	`2n8a__assembly_1__model_50`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	51	`2n8a__assembly_1__model_51`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	52	`2n8a__assembly_1__model_52`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	53	`2n8a__assembly_1__model_53`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	54	`2n8a__assembly_1__model_54`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	55	`2n8a__assembly_1__model_55`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	56	`2n8a__assembly_1__model_56`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	57	`2n8a__assembly_1__model_57`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	58	`2n8a__assembly_1__model_58`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	59	`2n8a__assembly_1__model_59`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	60	`2n8a__assembly_1__model_60`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	61	`2n8a__assembly_1__model_61`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	62	`2n8a__assembly_1__model_62`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	63	`2n8a__assembly_1__model_63`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	64	`2n8a__assembly_1__model_64`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	65	`2n8a__assembly_1__model_65`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	66	`2n8a__assembly_1__model_66`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	67	`2n8a__assembly_1__model_67`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	68	`2n8a__assembly_1__model_68`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	69	`2n8a__assembly_1__model_69`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	70	`2n8a__assembly_1__model_70`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	71	`2n8a__assembly_1__model_71`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	72	`2n8a__assembly_1__model_72`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	73	`2n8a__assembly_1__model_73`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	74	`2n8a__assembly_1__model_74`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	75	`2n8a__assembly_1__model_75`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	76	`2n8a__assembly_1__model_76`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	77	`2n8a__assembly_1__model_77`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	78	`2n8a__assembly_1__model_78`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Poly [ADP-ribose] polymerase 1
Molecular weight formula_weight	24106.6 kDa
EC 编号 ec_number	2.4.2.30
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	373464

MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKSNRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQLKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVD

Source Source

Source organism organism	Homo sapiens
Common name common_name	human
NCBI taxonomy ID ncbi_taxonomy_id	9606
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	DNA (45-MER)
Molecular weight formula_weight	13871.9 kDa
Source method src_method	syn
Copy count entity_count	1

Polymer Polymer

Polymer type type	polydeoxyribonucleotide
Chain IDs strand_id	B

GCTGGCTTCGTAAGAAGCCAGCTCGCGGTCAGCTTGCTGACCGCG

Entity 3 Entity 3 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	2

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6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	2n8aA01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1740 — first zn-finger domain of poly(adp-ribose) polymerase-1
Homologous superfamily homologous superfamily	10 — Zinc finger, PARP-type

Domain ID domain_id	2n8aA02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1740 — first zn-finger domain of poly(adp-ribose) polymerase-1
Homologous superfamily homologous superfamily	10 — Zinc finger, PARP-type

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1H, 13C and 15N chemical shift assignments and solution structure for PARP-1 F1F2 domains in complex with a DNA single-strand break

1. Protein Identity and Related Structures Protein Identity & Related Structures

Poly [ADP-ribose] polymerase 1

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

2n8a__assembly_1__model_45

2n8a__assembly_1__model_45 | I(q)

2n8a__assembly_1__model_45 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

5. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 non-polymer

6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

7. Citations (1)