› 6eq5

X-ray diffraction
1.8Å resolution

MTH1 in complex with fragment 4

Released:
DOI: 10.2210/pdb6eq5/pdb
Model geometry
Fit model/data
PDB entry 6eq5 coloured by chain, front view.
PDB entry 6eq5 coloured by chain, side view.
PDB entry 6eq5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ligand retargeting by binding site analogy.
Wiedmer L, Schärer C, Spiliotopoulos D, Hürzeler M, Śledź P, Caflisch A
Eur J Med Chem 175 107-113 (2019)
PMID: 31077996

Function and Biology Details

Reaction catalysed: 
2-hydroxy-dATP + H(2)O = 2-hydroxy-dAMP + diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153202 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Oxidized purine nucleoside triphosphate hydrolase Chain: A
Molecule details ›
Chain: A
Length: 182 amino acids
Theoretical weight: 21.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P36639 (Residues: 1-156; Coverage: 100%)
Gene names: MTH1, NUDT1
Sequence domains: NUDIX domain

Ligands and Environments

2 bound ligands:
Ligand AX7 1 x AX7
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21212
Unit cell:
a: 60.804Å b: 66.467Å c: 36.242Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.21 0.27
Expression system: Escherichia coli BL21(DE3)

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