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PDBsum entry 3ln0
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Oxidoreductase
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PDB id
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3ln0
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Contents |
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* Residue conservation analysis
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PDB id:
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| Name: |
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Oxidoreductase
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Title:
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Structure of compound 5c-s bound at the active site of cox-2
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Structure:
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Prostaglandin g/h synthase 2. Chain: a, b, c, d. Synonym: cyclooxygenase-2, cox-2, prostaglandin-endoperoxide synthase 2, prostaglandin h2 synthase 2, pgh synthase 2, pghs-2, phs ii, glucocorticoid-regulated inflammatory cyclooxygenase, gripghs, tis10 protein, macrophage activation-associated marker protein p71/73, pes- 2. Engineered: yes
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Source:
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Mus musculus. Mouse. Organism_taxid: 10090. Gene: cox-2, cox2, pghs-b, prostaglandin h2 synthase 2, ptgs2, tis10. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
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Resolution:
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2.20Å
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R-factor:
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0.212
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R-free:
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0.238
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Authors:
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J.R.Kiefer,R.G.Kurumbail,W.C.Stallings,J.L.Pawlitz
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Key ref:
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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:
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Date:
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01-Feb-10
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Release date:
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27-Oct-10
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PROCHECK
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Headers
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References
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Q05769
(PGH2_MOUSE) -
Prostaglandin G/H synthase 2 from Mus musculus
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Seq:
Struc:
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604 a.a.
552 a.a.
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Key: |
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PfamA domain |
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Secondary structure |
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CATH domain |
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Enzyme class:
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E.C.1.14.99.1
- prostaglandin-endoperoxide synthase.
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Reaction:
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(5Z,8Z,11Z,14Z)-eicosatetraenoate + AH2 + 2 O2 = prostaglandin H2 + A + H2O
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(5Z,8Z,11Z,14Z)-eicosatetraenoate
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+
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AH2
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+
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2
×
O2
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=
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prostaglandin H2
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+
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+
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H2O
Bound ligand (Het Group name = )
matches with 51.11% similarity
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Molecule diagrams generated from .mol files obtained from the
KEGG ftp site
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Bioorg Med Chem Lett
20:7159-7163
(2010)
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PubMed id:
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The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: the second clinical candidate having a shorter and favorable human half-life.
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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.
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ABSTRACT
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Links
