› 4qae

X-ray diffraction
2.1Å resolution

Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin

Released:
DOI: 10.2210/pdb4qae/pdb
PDB entry 4qae coloured by chain, front view.
PDB entry 4qae coloured by chain, side view.
PDB entry 4qae coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Giese T, Skerra A

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-160357 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Hepcidin-25 Chains: P, Q, R, S, T, U
Molecule details ›
Chains: P, Q, R, S, T, U
Length: 25 amino acids
Theoretical weight: 2.8 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P81172 (Residues: 60-84; Coverage: 42%)
Gene names: HAMP, HEPC, LEAP1, UNQ487/PRO1003
Sequence domains: Hepcidin
Neutrophil gelatinase-associated lipocalin Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 188 amino acids
Theoretical weight: 21.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P80188 (Residues: 21-198; Coverage: 100%)
Gene names: HNL, LCN2, NGAL
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family
Structure domains: Lipocalin

Ligands and Environments

2 bound ligands:
Ligand CL 5 x CL
Ligand MPD 8 x MPD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P3121
Unit cell:
a: 126.894Å b: 126.894Å c: 156.707Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.168 0.166 0.206
Expression systems:
  • Not provided
  • Escherichia coli

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