PDBe 3cwu

X-ray diffraction
2.8Å resolution

Crystal Structure of an AlkA Host/Guest Complex 2'-fluoro-2'-deoxy-1,N6-ethenoadenine:Thymine Base Pair

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero octamer (preferred)
Entry contents:
1 distinct polypeptide molecule
2 distinct DNA molecules
Macromolecules (3 distinct):
DNA-3-methyladenine glycosylase 2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 282 amino acids
Theoretical weight: 31.43 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P04395 (Residues: 1-282; Coverage: 100%)
Gene names: JW2053, aidA, alkA, b2068
Sequence domains:
Structure domains:
DNA (5'-D(*DGP*DGP*DCP*DAP*DTP*DTP*DCP*DAP*DTP*DGP*DTP*DC)-3') Chains: F, H
Molecule details ›
Chains: F, H
Length: 12 nucleotides
Theoretical weight: 3.65 KDa
Source organism: Synthetic construct
Expression system: Not provided
DNA (5'-D(*DGP*DAP*DCP*DAP*DTP*DGP*DAP*(2FE)P*DTP*DGP*DCP*DC)-3') Chains: E, G
Molecule details ›
Chains: E, G
Length: 12 nucleotides
Theoretical weight: 3.71 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C, null
Spacegroup: P21
Unit cell:
a: 74.938Å b: 100.742Å c: 102.978Å
α: 90° β: 93.86° γ: 90°
R-values:
R R work R free
0.213 0.213 0.273
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided