SAXSdb — 9ysn

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

dCTP pyrophosphatase 1

Homo sapiens

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 4	2-{[7-(4-cyclohexylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol × 4 MAGNESIUM ION × 3 water × 4	Consistent with protein count
2	Protein homooligomer	Homooligomer	Protein 4	2-{[7-(4-cyclohexylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol × 4 MAGNESIUM ION × 3 water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	DCTP1_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–110； UniProt 21–130 Author chain B； PDBConstruct 1–110； UniProt 21–130 Author chain C； PDBConstruct 1–110； UniProt 21–130 Author chain D； PDBConstruct 1–110； UniProt 21–130 Author chain E； PDBConstruct 1–110； UniProt 21–130 Author chain F； PDBConstruct 1–110； UniProt 21–130 Author chain G； PDBConstruct 1–110； UniProt 21–130 Author chain H； PDBConstruct 1–110； UniProt 21–130

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	9ysn
Deposition date deposition_date	2025-10-19
Last revision last_revision	2026-06-10
Structure title title	Human DCTPP1 bound to a Class I inhibitor
Keywords keywords	Inhibitor, pyrophosphatase, HYDROLASE, HYDROLASE-INHIBITOR complex; HYDROLASE/INHIBITOR
Experimental Method method	X-RAY DIFFRACTION

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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.

9ysn__assembly_1__model_1

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

Download this curve (.dat)

9ysn__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

9ysn__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	22.99 Å
Rg (electron density)	21.58 Å
Total Rg	22.47 Å
Atom count	7050
Residues	429
Excluded volume	62752 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`9ysn__assembly_1__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`9ysn__assembly_2__model_1`	tetrameric （4）	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 (4)

Entity 1 Entity 1 polymer

Description description	dCTP pyrophosphatase 1
Molecular weight formula_weight	12686.4 kDa
EC 编号 ec_number	3.6.1.12
Source method src_method	man
Copy count entity_count	8

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H
Atom count atom_count	14097

GRFSFSPEPTLEDIRRLHAEFAAERDWEQFHQPRNLLLALVGEVGELAELFQWKTDGEPGPQGWSPRERAALQEELSDVLIYLVALAARCRVDLPLAVLSKMDINRRRYP

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 non-polymer

Description description	2-{[7-(4-cyclohexylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Molecular weight formula_weight	390.4 kDa
Source method src_method	syn
Copy count entity_count	8

Entity 3 Entity 3 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	6

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	110

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Unit-cell length a length_a	61.637 Å
Unit-cell length b length_b	63.727 Å
Unit-cell length c length_c	67.627 Å
Unit-cell angle α angle_alpha	78.44 °
Unit-cell angle β angle_beta	78.10 °
Unit-cell angle γ angle_gamma	64.71 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 1
Space-group number int_tables_number	1
Crystal system crystal_system	triclinic

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	26.660 Å
R factor r_factor	0.2116
R_work r_work	0.2109
R_free r_free	0.2277

Human DCTPP1 bound to a Class I inhibitor

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

dCTP pyrophosphatase 1

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

9ysn__assembly_1__model_1

9ysn__assembly_1__model_1 | I(q)

9ysn__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

7. Citations (1)

Human DCTPP1 bound to a Class I inhibitor

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

dCTP pyrophosphatase 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

9ysn__assembly_1__model_1

9ysn__assembly_1__model_1 | I(q)

9ysn__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

7. Citations (1)