› 4bd9

X-ray diffraction
2.2Å resolution

Structure of the complex between SmCI and human carboxypeptidase A4

Released:
DOI: 10.2210/pdb4bd9/pdb
PDB entry 4bd9 coloured by chain, front view.
PDB entry 4bd9 coloured by chain, side view.
PDB entry 4bd9 coloured by chain, top view.
Source organisms:
Primary publication:
A noncanonical mechanism of carboxypeptidase inhibition revealed by the crystal structure of the Tri-Kunitz SmCI in complex with human CPA4.
Alonso del Rivero M, Reytor ML, Trejo SA, Chávez MA, Avilés FX, Reverter D
Structure 21 1118-26 (2013)
PMID: 23746805

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160924 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Carboxypeptidase A4 Chain: A
Molecule details ›
Chain: A
Length: 310 amino acids
Theoretical weight: 34.85 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: Q9UI42 (Residues: 112-421; Coverage: 77%)
Gene names: CPA3, CPA4, UNQ694/PRO1339
Sequence domains: Zinc carboxypeptidase
Structure domains: Zn peptidases
Carboxypeptidase inhibitor SmCI Chain: B
Molecule details ›
Chain: B
Length: 165 amino acids
Theoretical weight: 18.62 KDa
Source organism: Sabellastarte magnifica
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P84875 (Residues: 1-165; Coverage: 100%)
Sequence domains: Kunitz/Bovine pancreatic trypsin inhibitor domain
Structure domains: Pancreatic trypsin inhibitor Kunitz domain

Ligands and Environments

1 bound ligand:
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P6522
Unit cell:
a: 138.67Å b: 138.67Å c: 161.56Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.225 0.223 0.254
Expression system: Komagataella pastoris

Quick links

Citations

1 review citation

Marine Invertebrates: A Promissory Still Unexplored Source of Inhibitors of Biomedically Relevant Metallo Aminopeptidases Belonging to the M1 and M17 Families.
Pascual Alonso et al. (2023)
4 other articles

1 mention without citation

Binding interactions of epididymal protease inhibitor and semenogelin-1: a homology modeling, docking and molecular dynamics simulation study.
Shan et al. (2019)