6lwc

X-ray diffraction
2.91Å resolution

Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing spiroiminodihydantoin (Sp)

Released:
Model geometry
Fit model/data

Function and Biology Details

Reaction catalysed:
The C-O-P bond 3' to the apurinic or apyrimidinic site in DNA is broken by a beta-elimination reaction, leaving a 3'-terminal unsaturated sugar and a product with a terminal 5'-phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-120234 (preferred)
Entry contents:
1 distinct polypeptide molecule
2 distinct DNA molecules
Macromolecules (3 distinct):
Endonuclease 8-like 1 Chains: A, D
Molecule details ›
Chains: A, D
Length: 295 amino acids
Theoretical weight: 33.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q96FI4 (Residues: 1-295; Coverage: 76%)
Gene name: NEIL1
Sequence domains:
DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DSP)P*GP*TP*CP*TP*AP*C)-3') Chains: B, E
Molecule details ›
Chains: B, E
Length: 13 nucleotides
Theoretical weight: 3.96 KDa
Source organism: Escherichia coli
Expression system: Not provided
DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3') Chains: C, F

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P21212
Unit cell:
a: 88.757Å b: 143.614Å c: 71.251Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.191 0.243
Expression systems:
  • Escherichia coli
  • Not provided