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Crystal structure of human PNP complexed with guanine.

de Azevedo WF, Canduri F, dos Santos DM, Pereira JH, Bertacine Dias MV, Silva RG, Mendes MA, Basso LA, Palma MS, Santos DS
Biochem Biophys Res Commun 312 767-72 (2003)
Cited: 15 times
EuropePMC logo PMID: 14680831

Abstract

Purine nucleoside phosphorylase (PNP) catalyzes the phosphorolysis of the N-ribosidic bonds of purine nucleosides and deoxynucleosides. PNP is a target for inhibitor development aiming at T-cell immune response modulation and has been submitted to extensive structure-based drug design. More recently, the 3-D structure of human PNP has been refined to 2.3A resolution, which allowed a redefinition of the residues involved in the substrate-binding sites and provided a more reliable model for structure-based design of inhibitors. This work reports crystallographic study of the complex of Human PNP:guanine (HsPNP:Gua) solved at 2.7A resolution using synchrotron radiation. Analysis of the structural differences among the HsPNP:Gua complex, PNP apoenzyme, and HsPNP:immucillin-H provides explanation for inhibitor binding, refines the purine-binding site, and can be used for future inhibitor design.

Articles - 1v2h mentioned but not cited (3)

  1. Four generations of transition-state analogues for human purine nucleoside phosphorylase. Ho MC, Shi W, Rinaldo-Matthis A, Tyler PC, Evans GB, Clinch K, Almo SC, Schramm VL. Proc Natl Acad Sci U S A 107 4805-4812 (2010)
  2. Design and directed evolution of a dideoxy purine nucleoside phosphorylase. Nannemann DP, Kaufmann KW, Meiler J, Bachmann BO. Protein Eng Des Sel 23 607-616 (2010)
  3. IsoCleft Finder - a web-based tool for the detection and analysis of protein binding-site geometric and chemical similarities. Kurbatova N, Chartier M, Zylber MI, Najmanovich R. F1000Res 2 117 (2013)


Reviews citing this publication (1)

  1. 8-Azapurines as isosteric purine fluorescent probes for nucleic acid and enzymatic research. Wierzchowski J, Antosiewicz JM, Shugar D. Mol Biosyst 10 2756-2774 (2014)

Articles citing this publication (11)

  1. Structures of human purine nucleoside phosphorylase complexed with inosine and ddI. Canduri F, dos Santos DM, Silva RG, Mendes MA, Basso LA, Palma MS, de Azevedo WF, Santos DS. Biochem Biophys Res Commun 313 907-914 (2004)
  2. New catalytic mechanism for human purine nucleoside phosphorylase. Canduri F, Fadel V, Basso LA, Palma MS, Santos DS, de Azevedo WF. Biochem Biophys Res Commun 327 646-649 (2005)
  3. Kinetics and crystal structure of human purine nucleoside phosphorylase in complex with 7-methyl-6-thio-guanosine. Silva RG, Pereira JH, Canduri F, de Azevedo WF, Basso LA, Santos DS. Arch Biochem Biophys 442 49-58 (2005)
  4. Molecular modeling and dynamics simulations of PNP from Streptococcus agalactiae. Caceres RA, Saraiva Timmers LF, Dias R, Basso LA, Santos DS, de Azevedo WF. Bioorg Med Chem 16 4984-4993 (2008)
  5. Structural studies of human purine nucleoside phosphorylase: towards a new specific empirical scoring function. Timmers LF, Caceres RA, Vivan AL, Gava LM, Dias R, Ducati RG, Basso LA, Santos DS, de Azevedo WF. Arch Biochem Biophys 479 28-38 (2008)
  6. Crystal structure of human PNP complexed with hypoxanthine and sulfate ion. Canduri F, Fadel V, Dias MV, Basso LA, Palma MS, Santos DS, de Azevedo WF. Biochem Biophys Res Commun 326 335-338 (2005)
  7. Structural bioinformatics study of PNP from Schistosoma mansoni. da Silveira NJ, Uchôa HB, Canduri F, Pereira JH, Camera JC, Basso LA, Palma MS, Santos DS, de Azevedo WF. Biochem Biophys Res Commun 322 100-104 (2004)
  8. Effect of the phosphate substrate on drug-inhibitor binding to human purine nucleoside phosphorylase. Todorova NA, Schwarz FP. Arch Biochem Biophys 480 122-131 (2008)
  9. Molecular modeling, dynamics and docking studies of purine nucleoside phosphorylase from Streptococcus pyogenes. Timmers LF, Caceres RA, Dias R, Basso LA, Santos DS, de Azevedo WF. Biophys Chem 142 7-16 (2009)
  10. Molecular dynamics studies of a hexameric purine nucleoside phosphorylase. Zanchi FB, Caceres RA, Stabeli RG, de Azevedo WF. J Mol Model 16 543-550 (2010)
  11. Molecular modeling and dynamics studies of purine nucleoside phosphorylase from Bacteroides fragilis. Pauli I, Timmers LF, Caceres RA, Basso LA, Santos DS, de Azevedo WF. J Mol Model 15 913-922 (2009)


Related citations provided by authors (1)

  1. Crystal structure of human purine nucleoside phosphorylase at 2.3A resolution.. de Azevedo WF, Canduri F, dos Santos DM, Silva RG, de Oliveira JS, de Carvalho LP, Basso LA, Mendes MA, Palma MS, Santos DS Biochem Biophys Res Commun 308 545-52 (2003)

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