1q7a
From Proteopedia
| Line 1: | Line 1: | ||
[[Image:1q7a.jpg|left|200px]] | [[Image:1q7a.jpg|left|200px]] | ||
| - | + | <!-- | |
| - | + | The line below this paragraph, containing "STRUCTURE_1q7a", creates the "Structure Box" on the page. | |
| - | + | You may change the PDB parameter (which sets the PDB file loaded into the applet) | |
| - | + | or the SCENE parameter (which sets the initial scene displayed when the page is loaded), | |
| - | + | or leave the SCENE parameter empty for the default display. | |
| - | | | + | --> |
| - | | | + | {{STRUCTURE_1q7a| PDB=1q7a | SCENE= }} |
| - | + | ||
| - | + | ||
| - | }} | + | |
'''Crystal structure of the complex formed between russell's viper phospholipase A2 and an antiinflammatory agent oxyphenbutazone at 1.6A resolution''' | '''Crystal structure of the complex formed between russell's viper phospholipase A2 and an antiinflammatory agent oxyphenbutazone at 1.6A resolution''' | ||
| Line 24: | Line 21: | ||
Phospholipase A2 as a target protein for nonsteroidal anti-inflammatory drugs (NSAIDS): crystal structure of the complex formed between phospholipase A2 and oxyphenbutazone at 1.6 A resolution., Singh N, Jabeen T, Somvanshi RK, Sharma S, Dey S, Singh TP, Biochemistry. 2004 Nov 23;43(46):14577-83. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15544328 15544328] | Phospholipase A2 as a target protein for nonsteroidal anti-inflammatory drugs (NSAIDS): crystal structure of the complex formed between phospholipase A2 and oxyphenbutazone at 1.6 A resolution., Singh N, Jabeen T, Somvanshi RK, Sharma S, Dey S, Singh TP, Biochemistry. 2004 Nov 23;43(46):14577-83. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15544328 15544328] | ||
[[Category: Daboia russellii russellii]] | [[Category: Daboia russellii russellii]] | ||
| - | [[Category: Phospholipase A(2)]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Jabeen, T.]] | [[Category: Jabeen, T.]] | ||
| Line 30: | Line 26: | ||
[[Category: Singh, N.]] | [[Category: Singh, N.]] | ||
[[Category: Singh, T P.]] | [[Category: Singh, T P.]] | ||
| - | [[Category: | + | [[Category: Antiinflammatory compound]] |
| - | [[Category: | + | [[Category: Phospholipase a2]] |
| - | [[Category: | + | [[Category: Venom]] |
| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 05:57:31 2008'' | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | |
Revision as of 02:57, 3 May 2008
Crystal structure of the complex formed between russell's viper phospholipase A2 and an antiinflammatory agent oxyphenbutazone at 1.6A resolution
Overview
Phospholipase A(2) (PLA(2); EC 3.1.1.4) is a key enzyme involved in the production of proinflammatory mediators known as eicosanoids. The binding of the substrate to PLA(2) occurs through a well-formed hydrophobic channel. To determine the viability of PLA(2) as a target molecule for the structure-based drug design against inflammation, arthritis, and rheumatism, the crystal structure of the complex of PLA(2) with a known anti-inflammatory compound oxyphenbutazone (OPB), which has been determined at 1.6 A resolution. The structure has been refined to an R factor of 0.209. The structure contains 1 molecule each of PLA(2) and OPB with 2 sulfate ions and 111 water molecules. The binding studies using surface plasmon resonance show that OPB binds to PLA(2) with a dissociation constant of 6.4 x 10(-8) M. The structure determination has revealed the presence of an OPB molecule at the binding site of PLA(2). It fits well in the binding region, thus displaying a high level of complementarity. The structure also indicates that OPB works as a competitive inhibitor. A large number of hydrophobic interactions between the enzyme and the OPB molecule have been observed. The hydrophobic interactions involving residues Tyr(52) and Lys(69) with OPB are particularly noteworthy. Other residues of the hydrophobic channel such as Leu(3), Phe(5), Met(8), Ile(9), and Ala(18) are also interacting extensively with the inhibitor. The crystal structure clearly reveals that the binding of OPB to PLA(2) is specific in nature and possibly suggests that the basis of its anti-inflammatory effects may be due to its binding to PLA(2) as well.
About this Structure
1Q7A is a Single protein structure of sequence from Daboia russellii russellii. Full crystallographic information is available from OCA.
Reference
Phospholipase A2 as a target protein for nonsteroidal anti-inflammatory drugs (NSAIDS): crystal structure of the complex formed between phospholipase A2 and oxyphenbutazone at 1.6 A resolution., Singh N, Jabeen T, Somvanshi RK, Sharma S, Dey S, Singh TP, Biochemistry. 2004 Nov 23;43(46):14577-83. PMID:15544328 Page seeded by OCA on Sat May 3 05:57:31 2008
