 |
PDBsum entry 3ntg
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Oxidoreductase
|
PDB id
|
|
|
|
3ntg
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
Contents |
 |
|
|
|
|
|
|
|
|
|
|
|
|
* Residue conservation analysis
|
|
|
|
|
|
PDB id:
|
|
|
|
| Name: |
|
Oxidoreductase
|
|
|
Title:
|
|
Crystal structure of cox-2 with selective compound 23d-(r)
|
|
Structure:
|
|
Prostaglandin g/h synthase 2. Chain: a, b, c, d. Fragment: mcox-2 c delta (unp residues 18 to 604). Synonym: cyclooxygenase-2, cox-2, glucocorticoid-regulated inflammatory cyclooxygenase, gripghs, macrophage activation- associated marker protein p71/73, pes-2, phs ii, prostaglandin h2 synthase 2, pgh synthase 2, pghs-2, prostaglandin-endoperoxide synthase 2, tis10 protein. Engineered: yes
|
|
Source:
|
|
Mus musculus. Mouse. Organism_taxid: 10090. Gene: cox-2, cox2, mcg_5001, pghs-b, ptgs2, tis10. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
|
|
Resolution:
|
|
|
2.19Å
|
R-factor:
|
0.211
|
R-free:
|
0.255
|
|
|
Authors:
|
|
J.L.Wang,D.Limburg,M.J.Graneto,J.C.Carter,J.J.Talley,J.R.Kiefer
|
|
Key ref:
|
|
J.L.Wang
et al.
(2010).
The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: the second clinical candidate having a shorter and favorable human half-life.
Bioorg Med Chem Lett,
20,
7159-7163.
PubMed id:
|
|
|
Date:
|
|
|
04-Jul-10
|
Release date:
|
27-Oct-10
|
|
|
|
|
|
|
PROCHECK
|
|
|
|
|
|
Headers
|
|
|
|
References
|
|
|
|
|
|
|
|
Q05769
(PGH2_MOUSE) -
Prostaglandin G/H synthase 2 from Mus musculus
|
|
|
|
Seq:
Struc:
|
|
|
|
604 a.a.
552 a.a.
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Key: |
 |
PfamA domain |
|
|
 |
Secondary structure |
|
 |
CATH domain |
|
|
|
|
|
|
|
|
|
|
|
|
|
Enzyme class:
|
|
E.C.1.14.99.1
- prostaglandin-endoperoxide synthase.
|
|
|
|
|
|
|
Reaction:
|
|
(5Z,8Z,11Z,14Z)-eicosatetraenoate + AH2 + 2 O2 = prostaglandin H2 + A + H2O
|
|
|
|
|
|
(5Z,8Z,11Z,14Z)-eicosatetraenoate
|
+
|
AH2
|
+
|
2
×
O2
|
=
|
prostaglandin H2
|
+
|
|
+
|
H2O
Bound ligand (Het Group name = )
matches with 51.11% similarity
|
|
|
|
|
|
|
|
|
|
|
|
|
Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
| |
|
|
| |
|
|
Bioorg Med Chem Lett
20:7159-7163
(2010)
|
|
PubMed id:
|
|
|
|
|
|
| |
|
The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: the second clinical candidate having a shorter and favorable human half-life.
|
|
J.L.Wang,
D.Limburg,
M.J.Graneto,
J.Springer,
J.R.Hamper,
S.Liao,
J.L.Pawlitz,
R.G.Kurumbail,
T.Maziasz,
J.J.Talley,
J.R.Kiefer,
J.Carter.
|
|
|
|
|
| |
ABSTRACT
|
|
|
|
| |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
 |
 |
|
Links
