PDB 6w5j biological assemblies and structure analysis ‹ Protein Data Bank in Europe (PDBe)

Assemblies

Assembly 1 (preferred)

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Assembly Name: 3C-like protease
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Multimeric state: monomeric

Accessible surface area: 8134.06 Å²

Buried surface area: 0.0 Å²

Dissociation area: 0 Å²

Dissociation energy (ΔG^diss): 0 kcal/mol

Dissociation entropy (TΔS^diss): 0 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-182856

$Monomeric assembly 1 of PDB entry 6w5j coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of 3C-like protease;</li> <li class='image_legend_li'>1 copy of 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 6w5j coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of 3C-like protease;</li> <li class='image_legend_li'>1 copy of 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 6w5j coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of 3C-like protease;</li> <li class='image_legend_li'>1 copy of 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Assembly 2

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Assembly Name: 3C-like protease
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Multimeric state: monomeric

Accessible surface area: 7240.55 Å²

Buried surface area: 0.0 Å²

Dissociation area: 0 Å²

Dissociation energy (ΔG^diss): 0 kcal/mol

Dissociation entropy (TΔS^diss): 0 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-182856

$Monomeric assembly 2 of PDB entry 6w5j coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of 3C-like protease;</li> <li class='image_legend_li'>1 copy of 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 6w5j coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of 3C-like protease;</li> <li class='image_legend_li'>1 copy of 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 6w5j coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of 3C-like protease;</li> <li class='image_legend_li'>1 copy of 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Macromolecules

3C-like protease

Chains: A, B
Length: 187 amino acids
Theoretical weight: 19.99 KDa
Source organism: Norovirus Hu/1968/US
Expression system: Escherichia coli BL21
UniProt:

Canonical: Q83883 (Residues: 1101-1281; Coverage: 10%)

Gene name: ORF1
InterPro:

Peptidase S1, PA clan, chymotrypsin-like fold
Norovirus peptidase C37
Peptidase S1, PA clan

3C-like protease in PDB entry 6w5j, assembly 1, front view.

3C-like protease in PDB entry 6w5j, assembly 1, side view.

3C-like protease in PDB entry 6w5j, assembly 1, top view.

FASTA Sequence


    >pdb|6w5j|A B

HHHHHHAPPTLWSRVTKFGSGWGFWVSPTVFITTTHVVPTGVKEFFGEPLSSIAIHQAGEFTQFRFSKKMRPDLTGMVLEEGCPEGTVCSVLIKRDSGELLPLAVRMGAIASMRIQGRLVHGQSGMLLTGANAKGMDLGTIPGDCGAPYVHKRGNDWVVCGVHAAATKSGNTVVCAVQAGEGETALE

PDBe-KB: UniProt Coverage View: Q83883

Molecule details ›

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FASTA (Protein chains A, B)
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Updated mmCIF file
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PDB file (gz)
PDBML
PDBML (ATOM lines)
PDBML (no atoms)
Structure Factors
SIFTS XML file with residue-level mappings

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Similar 3D structures (PDBeFold)
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BLAST Q83883 (UniProt)

Protein Data Bank in Europe

1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7d

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Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

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PDBe › 6w5j › Structure analysis

1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7d

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Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

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6w5j › Structure analysis