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9y8x

OC43 Mpro with EGT710

Method: X-RAY DIFFRACTION Dmax: 72.9 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

3C-like proteinase

Human coronavirus OC43

UniProt U3M6R3

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 3247–3549 Not recorded A1CBU (4S)-4-(iminomethyl)-3-(isoquinolin-4-yl)-1-[6-(trifluoromethyl)pyridin-3-yl]imidazolidin-2-one × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；294 K；0.2M NaSCN, 30% Peg 3350 Resolution 2.12 Å R-free 0.265

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 9Y8X Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
9C7W human OC43 Main Protease (1-303) in complex with potent inhibitor Deposited 2024-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 3247–3544（298 aa）
Mutation：P3460L A1AUY (8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；0.1M HEPES pH 7.5, 8% EG, 10% PEG 8K
Resolution 2.08 Å R-free 0.246
9C7W human OC43 Main Protease (1-303) in complex with potent inhibitor Deposited 2024-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 3247–3544（298 aa）
Mutation：P3460L A1AUY (8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；0.1M HEPES pH 7.5, 8% EG, 10% PEG 8K
Resolution 2.08 Å R-free 0.246
9C7W human OC43 Main Protease (1-303) in complex with potent inhibitor Deposited 2024-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 3247–3544（298 aa）
Mutation：P3460L A1AUY (8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；0.1M HEPES pH 7.5, 8% EG, 10% PEG 8K
Resolution 2.08 Å R-free 0.246
9C7W human OC43 Main Protease (1-303) in complex with potent inhibitor Deposited 2024-06-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 3247–3544（298 aa）
Mutation：P3460L A1AUY (8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；0.1M HEPES pH 7.5, 8% EG, 10% PEG 8K
Resolution 2.08 Å R-free 0.246
9PAE Crystal structure of HCoV OC43 3CLpro with ALG-097608 (inhibitor 1) Deposited 2025-06-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 3247–3549（303 aa）
Chain B 3247–3549（303 aa）
Not recorded A1CHF (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 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2M Potassium thiocyanate, 0.1 M Bis-Tris pH 8.5 and 20% PEG3350
Resolution 2.31 Å R-free 0.280
9PAE Crystal structure of HCoV OC43 3CLpro with ALG-097608 (inhibitor 1) Deposited 2025-06-25 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 3247–3549（303 aa）
Chain D 3247–3549（303 aa）
Not recorded A1CHF (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 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2M Potassium thiocyanate, 0.1 M Bis-Tris pH 8.5 and 20% PEG3350
Resolution 2.31 Å R-free 0.280

2 other PDB entries and 6 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name U3M6R3_CVHOC
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–303； UniProt 3247–3549

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.

SAXS scattering curve SAXS Profile

SAXS profile for 9y8x

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 9y8x
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2. Structure Basics 2. Structure Basics

Entry ID entry_id9y8x
Deposition date deposition_date2025-09-11
最后修订 last_revision2025-12-24
Structure title titleOC43 Mpro with EGT710
Keywords keywordsMpro Covid-19, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier22.26 Å
Radius of gyration Rg (electron density) rg_electron21.64 Å
Forward intensity I(0) i034000800.00
Molecular weight molecular_weight30329.0 kDa
Excluded volume excluded_volume29456 ų
Envelope volume envelope_volume47838 ų
Hydration-shell volume shell_volume19385 ų
Envelope diameter envelope_diameter74.3 Å
Shell Rg shell_rg27.19 Å
Envelope Rg envelope_rg21.81 Å
Shape Rg shape_rg21.61 Å
Total Rg total_rg22.26 Å
Total atoms total_atoms2283
Residues n_residues297
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax72.9 Å
Rg (real space) rg_real22.36 Å
Rg uncertainty (real space) rg_real_error0.49 Å
I(0) (real space) i0_real3.4000e+07
I(0) uncertainty (real space) i0_real_error4.3310e+05
Rg (reciprocal space) rg_reciprocal22.33 Å
I(0) (reciprocal space) i0_reciprocal34000000.0000
Solution quality estimate total_estimate0.8753
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary22.1 Å
Skewness Skewness skewness0.457
Kurtosis Kurtosis kurtosis-0.431
Angular range angular_range— – 0.3550 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha10290000.0000
Real-space data points n_real_points67
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.824; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.925; Smooth: 0.976
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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8. Citations (1)

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9. Files and Curves (10)