› 7fqj

X-ray diffraction
1.7Å resolution

Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide

Released:
DOI: 10.2210/pdb7fqj/pdb
PDB entry 7fqj coloured by chain, front view.
PDB entry 7fqj coloured by chain, side view.
PDB entry 7fqj coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Ehler A, Benz J, Bartels B, Rudolph MG

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins and small molecule substrates at -Asn-|-Xaa- bonds.
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189215 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Legumain Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 444 amino acids
Theoretical weight: 50.88 KDa
Source organism: Homo sapiens
Expression system: Drosophila
UniProt:
  • Canonical: Q99538 (Residues: 18-433; Coverage: 100%)
Gene names: LGMN, PRSC1
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
8 bound ligands:
Ligand NAG 2 x NAG
Ligand WSN 3 x WSN
Ligand EDO 4 x EDO
Ligand PG4 1 x PG4
Ligand EPE 1 x EPE
Ligand FLC 1 x FLC
Ligand MG 1 x MG
Ligand SO4 1 x SO4
1 modified residue:
Ligand SNN 3 x SNN

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: C2
Unit cell:
a: 229.393Å b: 66.57Å c: 79.108Å
α: 90° β: 100.93° γ: 90°
R-values:
R R work R free
0.171 0.169 0.201
Expression system: Drosophila

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