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9rme

Hybrid NMR/Xray structure of SARS-CoV2 macrodomain (nsp3b) in complex with the sulfamoyl derivative of GS-441524

Method: SOLUTION NMR
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Papain-like protease nsp3

Severe acute respiratory syndrome coronavirus

UniProt P0DTC1

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein monomer Monomer Protein 1 [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate × 1 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
6zct 7c33 7c33 7c33 7c33 7cz4 7cz4 7d47 7d47 7exm 7exm 7exm

130 assemblies; showing the first 12

Homodimer
22dr 23ly 23mb 23mh 6m5i 6y2g 6yhu 6yhu 7bro 7brp 7d1o 7d3i

302 assemblies; showing the first 12

Homotetramer

None

Other homooligomers
6w9c 9p0f

2 assemblies

Heteromeric or nucleic-acid complex
28wf 6yva 7ein 7eiz 7rbr 7rbs 7rbs 7rbs 7rbs 7rbs 7uv5 7vfa

75 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name R1A_SARS2
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 4–173； UniProt 1025–1194

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_id9rme
Deposition date deposition_date2025-06-18
Last revision last_revision2026-03-18
Structure title titleHybrid NMR/Xray structure of SARS-CoV2 macrodomain (nsp3b) in complex with the sulfamoyl derivative of GS-441524
Keywords keywordsSARS-CoV-2, macrodomain, inhibitor, complex, NSP3, NSP3b, VIRAL PROTEIN; VIRAL PROTEIN
Experimental Method methodSOLUTION 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.

9rme__assembly_1__model_6

Assembly 1 · Model 6 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

9rme__assembly_1__model_6 | I(q)

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

9rme__assembly_1__model_6 | 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）16.48 Å
Rg (electron density)15.24 Å
Total Rg16.46 Å
Atom count2673
Residues173
Excluded volume23740 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 9rme__assembly_1__model_1 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
1 2 9rme__assembly_1__model_2 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
1 3 9rme__assembly_1__model_3 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
1 4 9rme__assembly_1__model_4 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
1 5 9rme__assembly_1__model_5 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
1 6 9rme__assembly_1__model_6 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
1 7 9rme__assembly_1__model_7 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
1 8 9rme__assembly_1__model_8 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
1 9 9rme__assembly_1__model_9 monomeric （1） Success 4.1.3-1-20251215 (887e7ef) View Download
1 10 9rme__assembly_1__model_10 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 (2)

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7. Citations (1)