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Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR

X-ray diffraction
1.3Å resolution
PDB entry 4k1e coloured by chain, front view.
PDB entry 4k1e coloured by chain, side view.
PDB entry 4k1e 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: Trypsin inhibitor 1 and Kallikrein-4
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Multimeric state: hetero dimer
Accessible surface area: 9872.49 Å2
Buried surface area: 1816.5 Å2
Dissociation area: 745.7 Å2
Dissociation energy (ΔGdiss): 8.42 kcal/mol
Dissociation entropy (TΔSdiss): 7.86 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-175542

Macromolecules

Kallikrein-4
Chain: A
Length: 223 amino acids
Theoretical weight: 23.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y5K2 (Residues: 31-253; Coverage: 98%)
Gene names: EMSP1, KLK4, PRSS17, PSTS
Pfam: Trypsin
InterPro:
CATH: Trypsin-like serine proteases
Kallikrein-4 in PDB entry 4k1e, assembly 1, front view.
Kallikrein-4 in PDB entry 4k1e, assembly 1, side view.
Kallikrein-4 in PDB entry 4k1e, assembly 1, top view.
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Trypsin inhibitor 1
Chain: B
Length: 14 amino acids
Theoretical weight: 1.58 KDa
Source organism: Helianthus annuus
Expression system: Not provided
UniProt:
  • Canonical: Q4GWU5 (Residues: 40-53; Coverage: 45%)
Gene name: sfti1
Trypsin inhibitor 1 in PDB entry 4k1e, assembly 1, front view.
Trypsin inhibitor 1 in PDB entry 4k1e, assembly 1, side view.
Trypsin inhibitor 1 in PDB entry 4k1e, assembly 1, top view.
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