1hvy

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{{STRUCTURE_1hvy| PDB=1hvy | SCENE= }}
{{STRUCTURE_1hvy| PDB=1hvy | SCENE= }}
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'''Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation'''
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===Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation===
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==Overview==
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Thymidylate synthase (TS) is a major target in the chemotherapy of colorectal cancer and some other neoplasms while raltitrexed (Tomudex, ZD1694) is an antifolate inhibitor of TS approved for clinical use in several European countries. The crystal structure of the complex between recombinant human TS, dUMP, and raltitrexed has been determined at 1.9 A resolution. In contrast to the situation observed in the analogous complex of the rat TS, the enzyme is in the closed conformation and a covalent bond between the catalytic Cys 195 and dUMP is present in both subunits. This mode of ligand binding is similar to that of the analogous complex of the Escherichia coli enzyme. The only major differences observed are a direct hydrogen bond between His 196 and the O4 atom of dUMP and repositioning of the side chain of Tyr 94 by about 2 A. The thiophene ring of the drug is disordered between two parallel positions.
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The line below this paragraph, {{ABSTRACT_PUBMED_11329255}}, adds the Publication Abstract to the page
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(as it appears on PubMed at http://www.pubmed.gov), where 11329255 is the PubMed ID number.
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{{ABSTRACT_PUBMED_11329255}}
==About this Structure==
==About this Structure==
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[[Category: Raltitrexed]]
[[Category: Raltitrexed]]
[[Category: Tomudex]]
[[Category: Tomudex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 19:17:07 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 08:53:49 2008''

Revision as of 05:53, 1 July 2008

Image:1hvy.png


PDB ID 1hvy

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1hvy, resolution 1.90Å ()
Ligands: , ,
Non-Standard Residues:
Activity: Thymidylate synthase, with EC number 2.1.1.45
Resources: FirstGlance, OCA, RCSB, PDBsum
Coordinates: save as pdb, mmCIF, xml



Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation

Template:ABSTRACT PUBMED 11329255

About this Structure

1HVY is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug., Phan J, Koli S, Minor W, Dunlap RB, Berger SH, Lebioda L, Biochemistry. 2001 Feb 20;40(7):1897-902. PMID:11329255

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