› 3tvj

X-ray diffraction
1.28Å resolution

Catalytic fragment of MASP-2 in complex with its specific inhibitor developed by directed evolution on SGCI scaffold

Released:
DOI: 10.2210/pdb3tvj/pdb
PDB entry 3tvj coloured by chain, front view.
PDB entry 3tvj coloured by chain, side view.
PDB entry 3tvj 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

Reaction catalysed: 
Selective cleavage after Arg(223) in complement component C2 (-Ser-Leu-Gly-Arg-|-Lys-Ile-Gln-Ile) and after Arg(76) in complement component C4 (-Gly-Leu-Gln-Arg-|-Ala-Leu-Glu-Ile)
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-126141 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Mannan-binding lectin serine protease 2 A chain Chain: A
Molecule details ›
Chain: A
Length: 86 amino acids
Theoretical weight: 9.22 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O00187 (Residues: 363-444; Coverage: 12%)
Gene name: MASP2
Sequence domains: Sushi repeat (SCR repeat)
Structure domains: Complement Module, domain 1
Mannan-binding lectin serine protease 2 B chain Chain: B
Molecule details ›
Chain: B
Length: 242 amino acids
Theoretical weight: 26.54 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O00187 (Residues: 445-686; Coverage: 36%)
Gene name: MASP2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Protease inhibitor SGPI-2 Chain: I
Molecule details ›
Chain: I
Length: 38 amino acids
Theoretical weight: 4.02 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

1 bound ligand:
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P212121
Unit cell:
a: 50.916Å b: 62.471Å c: 114.189Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.156 0.205
Expression systems:
  • Escherichia coli BL21(DE3)
  • Escherichia coli BL21

Quick links

Citations

13 review citations

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

6 mentions without citation

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 et al. (2012)
5 more