› 4etj

X-ray diffraction
2.2Å resolution

Crystal Structure of E6H variant of de novo designed serine hydrolase OSH55, Northeast Structural Genomics Consortium (NESG) Target OR185

Released:
DOI: 10.2210/pdb4etj/pdb
PDB entry 4etj coloured by chain, front view.
PDB entry 4etj coloured by chain, side view.
PDB entry 4etj coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Design of activated serine-containing catalytic triads with atomic-level accuracy.
Rajagopalan S, Wang C, Yu K, Kuzin AP, Richter F, Lew S, Miklos AE, Matthews ML, Seetharaman J, Su M, Hunt JF, Cravatt BF, Baker D
Nat Chem Biol 10 386-91 (2014)
PMID: 24705591

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-164441 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine hydrolase Chain: A
Molecule details ›
Chain: A
Length: 167 amino acids
Theoretical weight: 17.68 KDa
Source organism: synthetic construct
Expression system: Not provided
Structure domains: Leucine Aminopeptidase, subunit E, domain 1

Ligands and Environments

4 bound ligands:
Ligand CL 1 x CL
Ligand PE4 1 x PE4
Ligand PE5 1 x PE5
Ligand PE6 1 x PE6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4C
Spacegroup: P43212
Unit cell:
a: 65.93Å b: 65.93Å c: 89.26Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.183 0.226
Expression system: Not provided

Quick links

Citations

7 review citations

Advances in the directed evolution of proteins.
Lane et al. (2014)
6 more

1 mention without citation

Design of activated serine-containing catalytic triads with atomic-level accuracy.
Rajagopalan et al. (2014)