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Crystal structure of cathepsin L in complex with AZ12878478

X-ray diffraction
1.27Å resolution
PDB entry 3hha coloured by chain, front view.
PDB entry 3hha coloured by chain, side view.
PDB entry 3hha coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Procathepsin L
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Multimeric state: monomeric
Accessible surface area: 9785.54 Å2
Buried surface area: 628.38 Å2
Dissociation area: 226.26 Å2
Dissociation energy (ΔGdiss): -8.5 kcal/mol
Dissociation entropy (TΔSdiss): 3.19 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-139718
Monomeric assembly 1 of PDB entry 3hha coloured by chemically distinct molecules, front view.
Monomeric assembly 1 of PDB entry 3hha coloured by chemically distinct molecules, side view.
Monomeric assembly 1 of PDB entry 3hha coloured by chemically distinct molecules, top view.
Record not found!
Assembly 2
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Assembly Name: Procathepsin L
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Multimeric state: monomeric
Accessible surface area: 9683.72 Å2
Buried surface area: 324.28 Å2
Dissociation area: 162.14 Å2
Dissociation energy (ΔGdiss): -5.74 kcal/mol
Dissociation entropy (TΔSdiss): 2.41 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-139718
Monomeric assembly 2 of PDB entry 3hha coloured by chemically distinct molecules, front view.
Monomeric assembly 2 of PDB entry 3hha coloured by chemically distinct molecules, side view.
Monomeric assembly 2 of PDB entry 3hha coloured by chemically distinct molecules, top view.
    Assembly 2
Confidence : 48%
No. subunits : 3
Symmetry : NS
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3DComplex & QSbio predictionx
No. subunits : Unclear
Symmetry : Unclear
Evidence : This biological assembly agrees with none of the predictions of PISA & EPPIC
Assembly 3
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Assembly Name: Procathepsin L
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Multimeric state: monomeric
Accessible surface area: 9457.8 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-139718
Monomeric assembly 3 of PDB entry 3hha coloured by chemically distinct molecules, front view.
Monomeric assembly 3 of PDB entry 3hha coloured by chemically distinct molecules, side view.
Monomeric assembly 3 of PDB entry 3hha coloured by chemically distinct molecules, top view.
Record not found!
Assembly 4
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Assembly Name: Procathepsin L
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Multimeric state: monomeric
Accessible surface area: 10092.38 Å2
Buried surface area: 207.59 Å2
Dissociation area: 103.79 Å2
Dissociation energy (ΔGdiss): 1.06 kcal/mol
Dissociation entropy (TΔSdiss): 0.87 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-139718
Monomeric assembly 4 of PDB entry 3hha coloured by chemically distinct molecules, front view.
Monomeric assembly 4 of PDB entry 3hha coloured by chemically distinct molecules, side view.
Monomeric assembly 4 of PDB entry 3hha coloured by chemically distinct molecules, top view.
    Assembly 4
Confidence : 48%
No. subunits : 2
Symmetry : C2
More details
3DComplex & QSbio predictionx
No. subunits : Unclear
Symmetry : Unclear
Evidence : This biological assembly agrees with none of the predictions of PISA & EPPIC

Macromolecules

Cathepsin L
Chains: A, B, C, D
Length: 220 amino acids
Theoretical weight: 24.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P07711 (Residues: 114-333; Coverage: 70%)
Gene names: CTSL, CTSL1
Pfam: Papain family cysteine protease
InterPro:
CATH: Cysteine proteinases
Cathepsin L in PDB entry 3hha, assembly 1, front view.
Cathepsin L in PDB entry 3hha, assembly 1, side view.
Cathepsin L in PDB entry 3hha, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P07711  
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