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9ysi

Covalent allosteric inhibitor of human DNA polymerase theta

Method: X-RAY DIFFRACTION
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1. Protein Identity and Related Structures Protein Identity & Related Structures

DNA polymerase theta

Homo sapiens

UniProt O75417

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein–DNA Monomer Protein 1 DNA 2 ;DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*C)-3') ; × 1 ;DNA (5'-D(*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*G)-3') ; × 1 MAGNESIUM ION × 2 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 CHLORIDE ION × 3 GLYCEROL × 3 N-(4-{2-[2,4-bis(trifluoromethyl)phenyl]-N-phenylacetamido}but-2-yn-1-yl)-2-(ethanesulfonamido)benzamide × 1 water × 3 Consistent with all polymers
2 Protein–DNA Monomer Protein 1 DNA 2 ;DNA (5'-D(*CP*GP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*C)-3') ; × 1 ;DNA (5'-D(*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*G)-3') ; × 1 MAGNESIUM ION × 1 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE × 1 GLYCEROL × 2 N-(4-{2-[2,4-bis(trifluoromethyl)phenyl]-N-phenylacetamido}but-2-yn-1-yl)-2-(ethanesulfonamido)benzamide × 1 water × 3 Consistent with all polymers

Other States of the Same Protein in the Database

Monomer
5a9j 5a9j 5a9j 5a9j 5aga

5 assemblies

Homodimer
9asj 9ask 9bh7 9bp9

4 assemblies

Homotetramer
5a9f 5aga 9asl 9bh6 9bpa 9osw 9osy

7 assemblies

Other homooligomers

None

Heteromeric or nucleic-acid complex
4x0p 4x0p 4x0p 4x0p 4x0q 4x0q 6xbu 7zus 7zus 7zus 7zx0 7zx0

42 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name DPOLQ_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 2–668； UniProt 1818–2590 Author chain D； PDBConstruct 2–668； UniProt 1818–2590

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_id9ysi
Deposition date deposition_date2025-10-18
Last revision last_revision2026-05-20
Structure title titleCovalent allosteric inhibitor of human DNA polymerase theta
Keywords keywordsinhibitor, complex, DNA BINDING PROTEIN, DNA-TRANSFERASE-INHIBITOR complex; DNA/TRANSFERASE/INHIBITOR
Experimental Method methodX-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.

9ysi__assembly_1__model_1

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

Download this curve (.dat)

9ysi__assembly_1__model_1 | I(q)

10-2 10-1 106 107 108 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

9ysi__assembly_1__model_1 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg（Guinier）28.18 Å
Rg (electron density)27.67 Å
Total Rg28.33 Å
Atom count5719
Residues679
Excluded volume100270 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 9ysi__assembly_1__model_1 trimeric （3） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 9ysi__assembly_2__model_1 trimeric （3） 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 (9)

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7. Citations (2)