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9pac

Crystal structure of MERS-CoV 3CLpro with ALG-097608 (Inhibitor 1)

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

3C-like proteinase nsp5

Middle East respiratory syndrome-related coronavirus

UniProt K9N7C7

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein homooligomer Homooligomer Protein 2 ;(1R,2R,3S,6S,7S)-4-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-10,10-difluoro-N-{(1E,2R)-1-imino-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-4-azatricyclo[5.2.1.0~2,6~]decane-3-carboxamide (non-preferred name) ; × 1 water × 2 Consistent with protein count
2 Protein homooligomer Homooligomer Protein 2 ;(1R,2R,3S,6S,7S)-4-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-10,10-difluoro-N-{(1E,2R)-1-imino-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-4-azatricyclo[5.2.1.0~2,6~]decane-3-carboxamide (non-preferred name) ; × 2 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer

None

Homodimer
9inm 9inm 9pac 9pac 9pak 9pak 9xg7 9xg7 9y8w 9y8w

10 assemblies

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
4wur 8ppl 9yck 9ycl 9ycm 9ycn 9yco

7 assemblies

View Construct and Data Evidence
UniProt name R1AB_MERS1
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–306； UniProt 3248–3553 Author chain B； PDBConstruct 1–306； UniProt 3248–3553 Author chain C； PDBConstruct 1–306； UniProt 3248–3553 Author chain D； PDBConstruct 1–306； UniProt 3248–3553

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_id9pac
Deposition date deposition_date2025-06-25
Structure title titleCrystal structure of MERS-CoV 3CLpro with ALG-097608 (Inhibitor 1)
Keywords keywordsHYDROLASE/INHIBITOR, MERS-CoV 3CLpro, MERS-CoV-Mpro, Nsp5, ALG-097608, INHIBITIOR 1, PAN CORONOVIRUS DURG, VIRAL PROTEIN; VIRAL PROTEIN
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.

9pac__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

9pac__assembly_2__model_1 | I(q)

10-2 10-1 105 106 107 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

9pac__assembly_2__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）26.06 Å
Rg (electron density)25.13 Å
Total Rg25.94 Å
Atom count4678
Residues604
Excluded volume83136 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 9pac__assembly_1__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 9pac__assembly_2__model_1 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)

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7. Citations (1)