› 5q6w

X-ray diffraction
1.5Å resolution

PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 169)

Released:
DOI: 10.2210/pdb5q6w/pdb
PDB entry 5q6w coloured by chain, front view.
PDB entry 5q6w coloured by chain, side view.
PDB entry 5q6w coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Newman JA, Aitkenhead H, Lee SY, Kupinska K, Burgess-Brown N, Tallon R, Krojer T, von Delft F, Arrowsmith CH, Edwards A, Bountra C, Gileadi O

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-180185 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DNA cross-link repair 1A protein Chain: A
Molecule details ›
Chain: A
Length: 343 amino acids
Theoretical weight: 38.92 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q6PJP8 (Residues: 698-1040; Coverage: 33%)
Gene names: DCLRE1A, KIAA0086, SNM1, SNM1A
Sequence domains: DNA repair metallo-beta-lactamase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand MLI 1 x MLI
Ligand NI 1 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 51.78Å b: 56.9Å c: 114.82Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.212
Expression system: Spodoptera frugiperda

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