› 4tvw

X-ray diffraction
3.5Å resolution

Resorufin ligase with bound resorufin-AMP analog

Released:
DOI: 10.2210/pdb4tvw/pdb
PDB 4tvw coloured by chain and viewed from the front.
PDB 4tvw coloured by chain and viewed from the side.
PDB 4tvw coloured by chain and viewed from the top.
Source organism: Escherichia coli
Primary publication:
Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Liu DS, Nivón LG, Richter F, Goldman PJ, Deerinck TJ, Yao JZ, Richardson D, Phipps WS, Ye AZ, Ellisman MH, Drennan CL, Baker D, Ting AY
Proc. Natl. Acad. Sci. U.S.A. (2014)
PMID: 25313043

Function and Biology Details

Reaction catalysed: 
(1a) ATP + (R)-lipoate = lipoyl-AMP + diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Lipoate-protein ligase A Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 341 amino acids
Theoretical weight: 38.04 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P32099 (Residues: 1-338; Coverage: 100%)
Gene names: JW4349, b4386, lplA, yjjF
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 37P 4 x 37P
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21
Unit cell:
a: 91.354Å b: 99.932Å c: 107.284Å
α: 90° β: 105.79° γ: 90°
R-values:
R R work R free
0.203 0.201 0.248
Expression system: Escherichia coli

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Citations

8 review citations

Strategies for Site-Specific Labeling of Receptor Proteins on the Surfaces of Living Cells by Using Genetically Encoded Peptide Tags.
Wolf et al. (2021)
7 more

1 mention without citation

Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Liu et al. (2014)