This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.

Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.


2boh

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:2boh.gif|left|200px]]
+
{{Seed}}
 +
[[Image:2boh.png|left|200px]]
<!--
<!--
Line 9: Line 10:
{{STRUCTURE_2boh| PDB=2boh | SCENE= }}
{{STRUCTURE_2boh| PDB=2boh | SCENE= }}
-
'''CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND "1"'''
+
===CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND "1"===
-
==Overview==
+
<!--
-
Structure-activity relationships within a series of highly potent 2-carboxyindole-based factor Xa inhibitors incorporating a neutral P1 ligand are described with particular emphasis on the structural requirements for addressing subpockets of the factor Xa enzyme. Interactions with the subpockets were probed by systematic substitution of the 2-carboxyindole scaffold, in combination with privileged P1 and P4 substituents. Combining the most favorable substituents at the indole nucleus led to the discovery of a remarkably potent factor Xa inhibitor displaying a K(i) value of 0.07 nM. X-ray crystallography of inhibitors bound to factor Xa revealed substituent-dependent switching of the inhibitor binding mode and provided a rationale for the SAR obtained. These results underscore the key role played by the P1 ligand not only in determining the binding affinity of the inhibitor by direct interaction but also in modifying the binding mode of the whole scaffold, resulting in a nonlinear SAR.
+
The line below this paragraph, {{ABSTRACT_PUBMED_15999990}}, adds the Publication Abstract to the page
 +
(as it appears on PubMed at http://www.pubmed.gov), where 15999990 is the PubMed ID number.
 +
-->
 +
{{ABSTRACT_PUBMED_15999990}}
==About this Structure==
==About this Structure==
Line 53: Line 57:
[[Category: Vitamin k]]
[[Category: Vitamin k]]
[[Category: Zymogen]]
[[Category: Zymogen]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 20:34:28 2008''
+
 
 +
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 21:36:40 2008''

Revision as of 18:36, 27 July 2008

Image:2boh.png

Template:STRUCTURE 2boh

CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND "1"

Template:ABSTRACT PUBMED 15999990

About this Structure

2BOH is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Probing the subpockets of factor Xa reveals two binding modes for inhibitors based on a 2-carboxyindole scaffold: a study combining structure-activity relationship and X-ray crystallography., Nazare M, Will DW, Matter H, Schreuder H, Ritter K, Urmann M, Essrich M, Bauer A, Wagner M, Czech J, Lorenz M, Laux V, Wehner V, J Med Chem. 2005 Jul 14;48(14):4511-25. PMID:15999990

Page seeded by OCA on Sun Jul 27 21:36:40 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/2boh"
Personal tools