1ia1

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:1ia1.gif|left|200px]]
+
{{Seed}}
 +
[[Image:1ia1.png|left|200px]]
<!--
<!--
Line 9: Line 10:
{{STRUCTURE_1ia1| PDB=1ia1 | SCENE= }}
{{STRUCTURE_1ia1| PDB=1ia1 | SCENE= }}
-
'''Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997)'''
+
===Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997)===
-
==Overview==
+
<!--
-
X-ray crystallographic analysis of 5-(4'-substituted phenyl)sulfanyl-2,4-diaminoquinazoline inhibitors in ternary complex with Candida albicans dihydrofolate reductase (DHFR) and NADPH revealed two distinct modes of binding. The two compounds with small 4'-substituents (H and CH3) were found to bind with the phenyl group oriented in the plane of the quinazoline ring system and positioned adjacent to the C-helix. In contrast, the more selective inhibitors with larger 4'-substituents (tert-butyl and N-morpholino) were bound to the enzyme with the phenyl group perpendicular to the quinazoline ring and positioned in the region of the active site that typically binds the dihydronicotinamide moiety of NADPH. The cofactor appeared bound to DHFR but with the disordered dihydronicotinamide swung away from the protein surface and into solution. This unusual inhibitor binding mode may play an important role in the high DHFR selectivity of these compounds and also may provide new ideas for inhibitor design.
+
The line below this paragraph, {{ABSTRACT_PUBMED_11520201}}, adds the Publication Abstract to the page
 +
(as it appears on PubMed at http://www.pubmed.gov), where 11520201 is the PubMed ID number.
 +
-->
 +
{{ABSTRACT_PUBMED_11520201}}
==About this Structure==
==About this Structure==
Line 29: Line 33:
[[Category: Oxidoreductase]]
[[Category: Oxidoreductase]]
[[Category: Reductase]]
[[Category: Reductase]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 19:45:30 2008''
+
 
 +
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 10:39:00 2008''

Revision as of 07:39, 1 July 2008

Image:1ia1.png

Template:STRUCTURE 1ia1

Candida albicans dihydrofolate reductase complexed with dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH) and 5-(PHENYLSULFANYL)-2,4-QUINAZOLINEDIAMINE (GW997)

Template:ABSTRACT PUBMED 11520201

About this Structure

1IA1 is a Single protein structure of sequence from Candida albicans. Full crystallographic information is available from OCA.

Reference

X-Ray crystal structures of Candida albicans dihydrofolate reductase: high resolution ternary complexes in which the dihydronicotinamide moiety of NADPH is displaced by an inhibitor., Whitlow M, Howard AJ, Stewart D, Hardman KD, Chan JH, Baccanari DP, Tansik RL, Hong JS, Kuyper LF, J Med Chem. 2001 Aug 30;44(18):2928-32. PMID:11520201

Page seeded by OCA on Tue Jul 1 10:39:00 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1ia1"
Personal tools