› 3tzs

X-ray diffraction
2.45Å resolution

Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea

Released:
DOI: 10.2210/pdb3tzs/pdb
PDB entry 3tzs coloured by chain, front view.
PDB entry 3tzs coloured by chain, side view.
PDB entry 3tzs coloured by chain, top view.
Source organism: Homo sapiens
Entry author: Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160356 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Neutrophil gelatinase-associated lipocalin Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 183 amino acids
Theoretical weight: 21.04 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

4 bound ligands:
Ligand PHU 5 x PHU
Ligand SO4 8 x SO4
Ligand CL 3 x CL
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P41212
Unit cell:
a: 115.35Å b: 115.35Å c: 119.89Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.187 0.225
Expression system: Escherichia coli

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