NDB ID: PD0487


Title:CRYSTAL STRUCTURE OF HUMAN TYROSYL-DNA PHOSPHODIESTERASE COMPLEXED WITH VANADATE, OCTOPAMINE, AND TETRANUCLEOTIDE AGTT
Molecular Description:
Tyrosyl-DNA Phosphodiesterase 1 (E.C.3.1.4.-)/DNA complex
Structural Features:SINGLE STRAND
Nucleic Acid Sequence:
ChainsD,F:(DA) (DG) (DT) (DT)
Protein Sequence:
ChainsA,B: Click here for sequence.
Primary Citation:Davies, D.R., Interthal, H., Champoux, J.J., Hol, W.G.
Explorations of peptide and oligonucleotide binding sites of tyrosyl-DNA phosphodiesterase using vanadate complexes.
J.Med.Chem. , 47, pp. 829 - 837, 2004.
Experimental Information:X-RAY DIFFRACTION
Space Group: 21   21   21
Cell Constants:
a = 49.800b = 104.711c = 193.751(Ångstroms)
= 90.00 = 90.00 = 90.00(degrees)
Refinement:The structure was refined using the REFMAC 5.1.24 program. The R value is 19.9 for 53558 reflections in the resolution range 50. to 2.10 Ångstroms with Fobs > 0. sigma(Fobs).

Biological Assembly 1
Other Views
Asymmetric Unit

Biological Assemblies
Enlarge Biological Assembly 1
Enlarge Biological Assembly 2



Coordinate + Structure Data

Asymmetric Unit coordinates (pdb format, Unix compressed(.gz))

Asymmetric Unit coordinates (cif format, Unix compressed(.gz))

Biological Assembly coordinates (pdb format)12

Structure Factors (cif format)

XML | Complete with coordinates (xml format, GNU compressed(.gz))
XML | Coordinates only (xml format, GNU compressed(.gz))
XML | Header only (xml format, GNU compressed(.gz))

Derivative Data

Nucleic Acid Backbone Torsions

Links

The RCSB Protein Data Bank: 1RG1

PubMed: 14761185




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