› 8da5

X-ray diffraction
1Å resolution

Coevolved affibody-Z domain pair LL1.c4

Released:
DOI: 10.2210/pdb8da5/pdb
Model geometry
Fit model/data
PDB entry 8da5 coloured by chain, front view.
PDB entry 8da5 coloured by chain, side view.
PDB entry 8da5 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
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-272174 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Immunoglobulin G-binding protein A Chain: A
Molecule details ›
Chain: A
Length: 67 amino acids
Theoretical weight: 7.86 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: P02976 (Residues: 212-269; Coverage: 12%)
Gene names: SAOUHSC_00069, spa
Sequence domains: B domain
Immunoglobulin G-binding protein A Chain: C
Molecule details ›
Chain: C
Length: 67 amino acids
Theoretical weight: 7.92 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: P02976 (Residues: 212-269; Coverage: 12%)
Gene names: SAOUHSC_00069, spa
Sequence domains: B domain
affibody LL1.FIVM Chain: B
affibody LL1.FIVM Chain: D

Ligands and Environments

1 bound ligand:
Ligand GOL 1 x GOL
2 modified residues:
Ligand LAL 3 x LAL
Ligand MLY 12 x MLY

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRL BEAMLINE BL12-1
Spacegroup: P212121
Unit cell:
a: 38.612Å b: 41.153Å c: 160.108Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.168 0.191
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)