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› 6w4r

X-ray diffraction
1.82Å resolution

Structure of Tdp1 catalytic domain in complex with inhibitor XZ633p

Released:
DOI: 10.2210/pdb6w4r/pdb
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PDB entry 6w4r coloured by chain, front view.
PDB entry 6w4r coloured by chain, side view.
PDB entry 6w4r coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Lountos GT, Zhao XZ, Kiselev E, Tropea JE, Needle D, Pommier Y, Burke TR, Waugh DS

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192623 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosyl-DNA phosphodiesterase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 461 amino acids
Theoretical weight: 52.13 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9NUW8 (Residues: 148-608; Coverage: 76%)
Gene name: TDP1
Sequence domains: Tyrosyl-DNA phosphodiesterase

Ligands and Environments

3 bound ligands:
Ligand MPO 1 x MPO
Ligand SZV 2 x SZV
Ligand EDO 5 x EDO
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 49.719Å b: 105.624Å c: 194.105Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.215
Expression system: Escherichia coli

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