PDB 2hxz biological assemblies and structure analysis ‹ Protein Data Bank in Europe (PDBe)

Assemblies

Assembly 1 (preferred)

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Assembly Name: Cathepsin S
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Multimeric state: monomeric

Accessible surface area: 9764.11 Å²

Buried surface area: 807.56 Å²

Dissociation area: 326.72 Å²

Dissociation energy (ΔG^diss): -0.76 kcal/mol

Dissociation entropy (TΔS^diss): 4.6 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-150575

$Monomeric assembly 1 of PDB entry 2hxz coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Cathepsin S;</li> <li class='image_legend_li'>1 copy of SULFATE ION;</li> <li class='image_legend_li'>1 copy of N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 2hxz coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Cathepsin S;</li> <li class='image_legend_li'>1 copy of SULFATE ION;</li> <li class='image_legend_li'>1 copy of N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 1 of PDB entry 2hxz coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Cathepsin S;</li> <li class='image_legend_li'>1 copy of SULFATE ION;</li> <li class='image_legend_li'>1 copy of N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Assembly 2

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Assembly Name: Cathepsin S
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Multimeric state: monomeric

Accessible surface area: 9793.04 Å²

Buried surface area: 656.45 Å²

Dissociation area: 328.22 Å²

Dissociation energy (ΔG^diss): -1.67 kcal/mol

Dissociation entropy (TΔS^diss): 4.48 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-150575

$Monomeric assembly 2 of PDB entry 2hxz coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Cathepsin S;</li> <li class='image_legend_li'>1 copy of N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 2hxz coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Cathepsin S;</li> <li class='image_legend_li'>1 copy of N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 2 of PDB entry 2hxz coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Cathepsin S;</li> <li class='image_legend_li'>1 copy of N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Assembly 3

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Assembly Name: Cathepsin S
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Multimeric state: monomeric

Accessible surface area: 9699.3 Å²

Buried surface area: 697.27 Å²

Dissociation area: 348.63 Å²

Dissociation energy (ΔG^diss): -1.84 kcal/mol

Dissociation entropy (TΔS^diss): 4.54 kcal/mol

Symmetry number: 1

PDBe Complex ID: PDB-CPX-150575

$Monomeric assembly 3 of PDB entry 2hxz coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Cathepsin S;</li> <li class='image_legend_li'>1 copy of N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 3 of PDB entry 2hxz coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Cathepsin S;</li> <li class='image_legend_li'>1 copy of N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Monomeric assembly 3 of PDB entry 2hxz coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>1 copy of Cathepsin S;</li> <li class='image_legend_li'>1 copy of N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

Macromolecules

Cathepsin S

Chains: A, B, C
Length: 220 amino acids
Theoretical weight: 24.39 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:

Canonical: P25774 (Residues: 112-331; Coverage: 70%)

Gene name: CTSS
Pfam: Papain family cysteine protease
InterPro:

Papain-like cysteine peptidase superfamily
Peptidase C1A, papain C-terminal
Papain-like cysteine endopeptidase
Peptidase C1A
Cysteine peptidase, cysteine active site
Cysteine peptidase, histidine active site
Cysteine peptidase, asparagine active site

CATH: Cysteine proteinases
SCOP: Papain-like

Cathepsin S in PDB entry 2hxz, assembly 1, front view.

Cathepsin S in PDB entry 2hxz, assembly 1, side view.

Cathepsin S in PDB entry 2hxz, assembly 1, top view.

FASTA Sequence


    >pdb|2hxz|A B C

NRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI

PDBe-KB: UniProt Coverage View: P25774

Molecule details ›

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

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Similar 3D structures (PDBeFold)
Similar sequences

BLAST P25774 (UniProt)

Protein Data Bank in Europe

Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup)

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Assemblies

Assembly 1 (preferred)

Assembly 2

Assembly 3

Macromolecules

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PDBe › 2hxz › Structure analysis

Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup)

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Assemblies

Assembly 1 (preferred)

Assembly 2

Assembly 3

Macromolecules

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2hxz › Structure analysis