› 4djz

X-ray diffraction
3.2Å resolution

Catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold

Released:
DOI: 10.2210/pdb4djz/pdb
PDB entry 4djz coloured by chain, front view.
PDB entry 4djz coloured by chain, side view.
PDB entry 4djz coloured by chain, top view.
Source organisms:
Primary publication:
Monospecific inhibitors show that both mannan-binding lectin-associated serine protease-1 (MASP-1) and -2 Are essential for lectin pathway activation and reveal structural plasticity of MASP-2.
Héja D, Harmat V, Fodor K, Wilmanns M, Dobó J, Kékesi KA, Závodszky P, Gál P, Pál G
J Biol Chem 287 20290-300 (2012)
PMID: 22511776

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129209 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Mannan-binding lectin serine protease 1 heavy chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 155 amino acids
Theoretical weight: 17.51 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P48740 (Residues: 298-448; Coverage: 22%)
Gene names: CRARF, CRARF1, MASP1, PRSS5
Sequence domains: Sushi repeat (SCR repeat)
Structure domains: Complement Module, domain 1
Mannan-binding lectin serine protease 1 light chain Chains: B, D
Molecule details ›
Chains: B, D
Length: 251 amino acids
Theoretical weight: 28.03 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P48740 (Residues: 449-699; Coverage: 37%)
Gene names: CRARF, CRARF1, MASP1, PRSS5
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Protease inhibitor SGPI-2 Chains: H, I
Molecule details ›
Chains: H, I
Length: 38 amino acids
Theoretical weight: 4.09 KDa
Source organism: Schistocerca gregaria
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O46162 (Residues: 57-91; Coverage: 48%)
Sequence domains: Pacifastin inhibitor (LCMII)

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 71.327Å b: 98.404Å c: 155.531Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.23 0.228 0.274
Expression systems:
  • Escherichia coli BL21(DE3)
  • Escherichia coli BL21

Quick links

Citations

12 review citations

Complement, a target for therapy in inflammatory and degenerative diseases.
Morgan et al. (2015)
11 more

5 mentions without citation

Be on Target: Strategies of Targeting Alternative and Lectin Pathway Components in Complement-Mediated Diseases.
Dobó et al. (2018)
4 more