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Binding Structure of Elastase Inhibitor Scyptolin A

X-ray diffraction
2.8Å resolution
PDB entry 1okx coloured by chain, front view.
PDB entry 1okx coloured by chain, side view.
PDB entry 1okx coloured by chain, top view.
Source organisms:
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Chymotrypsin-like elastase family member 1 and peptide
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Multimeric state: hetero dimer
Accessible surface area: 10167.46 Å2
Buried surface area: 1458.56 Å2
Dissociation area: 677.9 Å2
Dissociation energy (ΔGdiss): 8.34 kcal/mol
Dissociation entropy (TΔSdiss): 6.94 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133462
Assembly 2
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Assembly Name: Chymotrypsin-like elastase family member 1 and peptide
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Multimeric state: hetero dimer
Accessible surface area: 10165.48 Å2
Buried surface area: 1459.86 Å2
Dissociation area: 678.36 Å2
Dissociation energy (ΔGdiss): 8.26 kcal/mol
Dissociation entropy (TΔSdiss): 6.94 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133462

Macromolecules

Chymotrypsin-like elastase family member 1
Chains: A, B
Length: 240 amino acids
Theoretical weight: 25.93 KDa
Source organism: Sus scrofa
UniProt:
  • Canonical: P00772 (Residues: 27-266; Coverage: 96%)
Gene names: CELA1, ELA1
Pfam: Trypsin
InterPro:
CATH: Trypsin-like serine proteases
SCOP: Eukaryotic proteases
Chymotrypsin-like elastase family member 1 in PDB entry 1okx, assembly 1, front view.
Chymotrypsin-like elastase family member 1 in PDB entry 1okx, assembly 1, side view.
Chymotrypsin-like elastase family member 1 in PDB entry 1okx, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P00772  
124020406080100120140160180200220240
 
100200
UniProt
P00772
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
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SCYPTOLIN A
Chains: C, D
Length: 8 amino acids
Theoretical weight: 986 Da
Source organism: Scytonema hofmannii
SCYPTOLIN A in PDB entry 1okx, assembly 1, front view.
SCYPTOLIN A in PDB entry 1okx, assembly 1, side view.
SCYPTOLIN A in PDB entry 1okx, assembly 1, top view.
181.01.52.02.53.03.54.04.55.05.56.06.57.07.58.0
 
2468*ATTL**V
Chains
Chain C (auth C)
Chain D (auth D)
Secondary structure
Flexibility predictions
Interaction interfaces
Molecule details ›

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