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7hfu

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006002

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

Non-structural protein 3

Severe acute respiratory syndrome coronavirus 2

UniProt P0DTD1

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein monomer Monomer Protein 1 [(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol × 1 water × 1 Consistent with protein count
2 Protein monomer Monomer Protein 1 water × 1 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
13mi 13mj 13mk 13ml 13mm 13mn 13mo 13mp 13mq 13mr 13ms 13mt

2357 assemblies; showing the first 12

Homodimer
11ro 12af 23lw 23lx 23lz 23lz 23ma 23mc 23md 23me 23mf 23mg

1611 assemblies; showing the first 12

Homotetramer
6m71 6wiq 6wqd 6wtc 6xip 7btf 7bv1 7bw4 7cjd 7d4f 7dvp 7dvw

29 assemblies; showing the first 12

Other homooligomers
5s6x 5s6y 5s6z 5s70 5s71 5s72 5sa4 5sa5 5sa6 5sa7 5sa8 5sa9

59 assemblies; showing the first 12

Heteromeric or nucleic-acid complex
10dv 24ew 28wf 6lu7 6wuu 6wuu 6wuu 6wuu 6wx4 6x1b 6xa4 6xa9

269 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name R1AB_SARS2
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 3–169； UniProt 1025–1191 Author chain B； PDBConstruct 3–169； UniProt 1025–1191

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_id7hfu
Deposition date deposition_date2024-08-15
Last revision last_revision2025-06-11
Structure title titlePanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006002
Keywords keywordsMacrodomain, ADP-ribose, SARS-CoV-2, fragment-based drug discovery, VIRAL PROTEIN, Hydrolase; VIRAL PROTEIN, Hydrolase
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.

7hfu__assembly_1__model_1

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

Download this curve (.dat)

7hfu__assembly_1__model_1 | I(q)

10-2 10-1 105 106 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

7hfu__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）16.12 Å
Rg (electron density)14.85 Å
Total Rg16.00 Å
Atom count2538
Residues167
Excluded volume22613 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 7hfu__assembly_1__model_1 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 7hfu__assembly_2__model_1 monomeric （1） 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)

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7. Citations (1)