› 2wrz

X-ray diffraction
2.2Å resolution

Crystal structure of an arabinose binding protein with designed serotonin binding site in open, ligand-free state

Released:
DOI: 10.2210/pdb2wrz/pdb
PDB entry 2wrz coloured by chain, front view.
PDB entry 2wrz coloured by chain, side view.
PDB entry 2wrz coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Computational design of ligand binding is not a solved problem.
Schreier B, Stumpp C, Wiesner S, Höcker B
Proc Natl Acad Sci U S A 106 18491-6 (2009)
PMID: 19833875

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-136385 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
L-arabinose-binding periplasmic protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 306 amino acids
Theoretical weight: 33 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P02924 (Residues: 24-329; Coverage: 100%)
Gene names: JW1889, araF, b1901
Sequence domains: Periplasmic binding proteins and sugar binding domain of LacI family
Structure domains: Rossmann fold

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 79.76Å b: 86.3Å c: 116.82Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.21 0.272
Expression system: Escherichia coli BL21

Quick links

Citations

19 review citations

Computational enzyme design.
Kiss et al. (2013)
18 more

2 mentions without citation

Computational design of ligand binding is not a solved problem.
Schreier et al. (2009)
1 more