› 3e0l

X-ray diffraction
2.37Å resolution

Computationally Designed Ammelide Deaminase

Released:
DOI: 10.2210/pdb3e0l/pdb
PDB entry 3e0l coloured by chain, front view.
PDB entry 3e0l coloured by chain, side view.
PDB entry 3e0l coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Alteration of enzyme specificity by computational loop remodeling and design.
Murphy PM, Bolduc JM, Gallaher JL, Stoddard BL, Baker D
Proc Natl Acad Sci U S A 106 9215-20 (2009)
PMID: 19470646

Function and Biology Details

Reaction catalysed: 
Guanine + H(2)O = xanthine + NH(3)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195156 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Guanine deaminase Chains: A, B
Molecule details ›
Chains: A, B
Length: 455 amino acids
Theoretical weight: 50.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y2T3 (Residues: 1-454; Coverage: 100%)
Gene names: GDA, KIAA1258
Sequence domains: Amidohydrolase family
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand ZN 2 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: I212121
Unit cell:
a: 86.827Å b: 107.315Å c: 233.62Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.202 0.247
Expression system: Escherichia coli

Quick links

Citations

23 review citations

Beyond directed evolution--semi-rational protein engineering and design.
Lutz S. (2010)
22 more

2 mentions without citation

Development of Novel Anti-Leishmanials: The Case for Structure-Based Approaches.
Soni et al. (2022)
1 more