› 8dac

X-ray diffraction
1.19Å resolution

Coevolved affibody-Z domain pair LL2.c22

Released:
DOI: 10.2210/pdb8dac/pdb
PDB entry 8dac coloured by chain, front view.
PDB entry 8dac coloured by chain, side view.
PDB entry 8dac coloured by chain, top view.
Source organisms:
Primary publication:
Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Yang A, Jude KM, Lai B, Minot M, Kocyla AM, Glassman CR, Nishimiya D, Kim YS, Reddy ST, Khan AA, Garcia KC
OpenAccess logo Science 381 eadh1720 (2023)
PMID: 37499032

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-235743 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Immunoglobulin G-binding protein A Chain: A
Molecule details ›
Chain: A
Length: 67 amino acids
Theoretical weight: 7.85 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: P02976 (Residues: 213-269; Coverage: 12%)
Gene names: SAOUHSC_00069, spa
Sequence domains: B domain
Affibody LL2.FILV Chain: B
Molecule details ›
Chain: B
Length: 67 amino acids
Theoretical weight: 7.64 KDa
Source organism: synthetic construct
Expression system: Escherichia coli

Ligands and Environments

1 bound ligand:
Ligand GOL 1 x GOL
2 modified residues:
Ligand LAL 1 x LAL
Ligand MLY 3 x MLY

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: C2
Unit cell:
a: 50.443Å b: 54.676Å c: 34.637Å
α: 90° β: 96.9° γ: 90°
R-values:
R R work R free
0.162 0.16 0.196
Expression system: Escherichia coli

Quick links

Citations

1 mention without citation

Deploying synthetic coevolution and machine learning to engineer protein-protein interactions.
Yang et al. (2023)