Brand  (β version)

PDB ID: 3N8W

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Ligands
Code Name Style Show Link
FLP Flurbiprofen PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
BOG Octyl beta-D-glucopyranoside PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
BMA Beta-D-mannopyranose
MAN Alpha-D-mannopyranose
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
NDG 2-acetamido-2-deoxy-alpha-D-glucopyranose
Modification
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Structure summary

Code : 3N8W   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal Structure of R120Q/Native Cyclooxygenase-1 Heterodimer mutant in complex with Flurbiprofen
Release Data : 2010-07-28
Compound :
mol_id molecule chains synonym
1 Prostaglandin G/H synthase 1 A Cyclooxygenase-1, COX-1, Prostaglandin-endoperoxide synthase 1, Prostaglandin H2 synthase 1, PGH synthase 1, PGHS-1, PHS 1
ec: 1.14.99.1
fragment: Chain B
mutation: R120Q
mol_id molecule chains synonym
2 Prostaglandin G/H synthase 1 B Cyclooxygenase-1, COX-1, Prostaglandin-endoperoxide synthase 1, Prostaglandin H2 synthase 1, PGH synthase 1, PGHS-1, PHS 1
ec: 1.14.99.1
Source :
mol_id organism_scientific organism_common expression_system
1 Ovis aries  (taxid:9940) Sheep Spodoptera frugiperda  (taxid:7108)
strain: SHEEP
gene: COX1, PTGS1
expression_system_strain: SF21
expression_system_vector_type: Baculovirus
expression_system_plasmid: PFASTBAC-HTOCOX-1
mol_id organism_scientific organism_common expression_system
2 Ovis aries  (taxid:9940) Sheep Spodoptera frugiperda  (taxid:7108)
gene: PTGS1, COX1
expression_system_strain: SF21
expression_system_vector_type: Baculovirus
expression_system_plasmid: PFASTBAC-HTOCOX-1
Authors : Sidhu, R.S.
Keywords : cox-1, cyclooxygenase, peroxidase, prostaglandin, heme, flurbiprofen, merohedral twinned, heterodimer mutant, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 2.75 Å )
Citation :

Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers

Sidhu, R.S.,Lee, J.Y.,Yuan, C.  et al.
(2010)  Biochemistry  49 : 7069 - 7079

PubMed: 20669977
DOI: 10.1021/bi1003298

Reaction

Chain : B
UniProt : P05979 (PGH1_SHEEP)
Reaction: EC: Evidence:
Physiological Direction:
(5Z,8Z,11Z,14Z)-eicosatetraenoate + AH2 + 2 O2 = prostaglandin H2 + A + H2O 1.14.99.1 PubMed:7947975
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(5Z,8Z,11Z,14Z)-eicosatetraenoate + 2 O2 = prostaglandin G2 - PubMed:7947975
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prostaglandin G2 + AH2 = prostaglandin H2 + A + H2O - PubMed:7947975
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(9Z,12Z)-octadecadienoate + AH2 + O2 = (9R)-hydroxy-(10E,12Z)- octadecadienoate + A + H2O - PubMed:9448728
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(9Z,12Z)-octadecadienoate + AH2 + O2 = (9S)-hydroxy-(10E,12Z)- octadecadienoate + A + H2O - PubMed:9448728
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(9Z,12Z)-octadecadienoate + AH2 + O2 = (13S)-hydroxy-(9Z,11E)- octadecadienoate + A + H2O - PubMed:9448728
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(9Z,12Z)-octadecadienoate + AH2 + O2 = (13R)-hydroxy-(9Z,11E)- octadecadienoate + A + H2O - PubMed:9448728
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Cofactor: Evidence: Note:
heme b - Binds 1 heme b (iron(II)-protoporphyrin IX) group per subunit.