› 8avr

X-ray diffraction
1.13Å resolution

Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of sulfate

Released:
DOI: 10.2210/pdb8avr/pdb
PDB entry 8avr coloured by chain, front view.
PDB entry 8avr coloured by chain, side view.
PDB entry 8avr coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Lander AJ, Mercado LD, Li X, Taily IM, Findlay BL, Jin Y, Luk LYP
OpenAccess logo Commun Chem 6 154 (2023)
PMID: 37464011

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-221789 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bacteriocin aureocin A53 Chains: A, C
Molecule details ›
Chains: A, C
Length: 51 amino acids
Theoretical weight: 5.99 KDa
Source organism: Staphylococcus aureus
Expression system: Not provided
UniProt:
  • Canonical: Q8GPI4 (Residues: 1-51; Coverage: 100%)
Gene name: aucA
Sequence domains: Aureocin-like type II bacteriocin
D-Aureocin A53 Chains: B, D
Molecule details ›
Chains: B, D
Length: 51 amino acids
Theoretical weight: 5.98 KDa
Source organism: Staphylococcus aureus
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand SO4 6 x SO4
Ligand EDO 5 x EDO
15 modified residues:
Ligand MED 2 x MED
Ligand DSN 4 x DSN
Ligand DTR 10 x DTR
Ligand DLE 14 x DLE
Ligand DSG 4 x DSG
Ligand DPN 2 x DPN
Ligand DLY 20 x DLY
Ligand DTY 6 x DTY
Ligand DIL 4 x DIL
Ligand DAL 10 x DAL
Ligand DVA 8 x DVA
Ligand DGL 4 x DGL
Ligand DPR 2 x DPR
Ligand DTH 2 x DTH
Ligand DGN 2 x DGN

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 72.74Å b: 36.58Å c: 106.15Å
α: 90° β: 95.98° γ: 90°
R-values:
R R work R free
0.184 0.182 0.209
Expression system: Not provided

Quick links

Citations

1 citations in other articles

Optimizing Bothropstoxin-I-Derived Peptides: Exploring the Antibacterial Potential of p-BthW.
Marinho Righetto et al. (2024)

1 mention without citation

Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Lander et al. (2023)