Brand  (β version)

PDB ID: 5IKV

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Ligands
Code Name Style Show Link
COH Protoporphyrin ix containing co PoSSuM
FLF 2-[[3-(trifluoromethyl)phenyl]amino] benzoic acid PoSSuM
NH4 Ammonium ion PoSSuM
BOG Octyl beta-D-glucopyranoside PoSSuM
Non-standard Residues
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Glycosylation
Code Name Emphasize
MAN Alpha-D-mannopyranose
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
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Structure summary

Code : 5IKV   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : The Structure of Flufenamic Acid Bound to Human Cyclooxygenase-2
Release Data : 2016-05-25
Compound :
mol_id molecule chains synonym
1 Prostaglandin G/H synthase 2 A,B Cyclooxygenase-2,COX-2,PHS II,Prostaglandin H2 synthase 2,PGHS-2,Prostaglandin-endoperoxide synthase 2
ec: 1.14.99.1
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: PTGS2, COX2
Authors : Orlando, B.J., Malkowski, M.G.
Keywords : COX Flufenamic, OXIDOREDUCTASE
Exp. method : X-RAY DIFFRACTION ( 2.508 Å )
Citation :

Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone.

Orlando, B.J.,Malkowski, M.G.
(2016)  J.Biol.Chem.  291 : 15069 - 15081

PubMed: 27226593
DOI: 10.1074/jbc.M116.725713

Reaction

Chain : A, B
UniProt : P35354 (PGH2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
(5Z,8Z,11Z,14Z)-eicosatetraenoate + AH2 + 2 O2 = A + H2O + prostaglandin H2 1.14.99.1 PubMed:16373578, PubMed:22942274, PubMed:26859324, PubMed:27226593, PubMed:7592599, PubMed:7947975, PubMed:9261177
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + 2 O2 = prostaglandin G2 - PubMed:22942274, PubMed:7592599, PubMed:7947975, PubMed:9261177
left-to-right PubMed:22942274, PubMed:7592599, PubMed:7947975, PubMed:9261177
AH2 + prostaglandin G2 = A + H2O + prostaglandin H2 - PubMed:22942274, PubMed:7592599, PubMed:7947975, PubMed:9261177
left-to-right
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + 2 O2 = prostaglandin G3 - PubMed:19540099
left-to-right
AH2 + prostaglandin G3 = A + H2O + prostaglandin H3 - PubMed:19540099
left-to-right
(8Z,11Z,14Z)-eicosatrienoate + 2 O2 = prostaglandin G1 - PubMed:11939906
left-to-right
AH2 + prostaglandin G1 = A + H2O + prostaglandin H1 - PubMed:11939906
left-to-right
2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3- phosphoethanolamine + 2 O2 = 2-(prostaglandin G2)-sn-glycero-3- phosphoethanolamine - PubMed:27642067
left-to-right
2-(prostaglandin G2)-sn-glycero-3-phosphoethanolamine + AH2 = 2-(prostaglandin H2)-sn-glycero-3-phosphoethanolamine + A + H2O - PubMed:27642067
left-to-right
2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphocholine + 2 O2 = 2-(prostaglandin G2)-sn-glycero-3-phosphocholine - PubMed:27642067
left-to-right
2-(prostaglandin G2)-sn-glycero-3-phosphocholine + AH2 = 2- (prostaglandin H2)-sn-glycero-3-phosphocholine + A + H2O - PubMed:27642067
left-to-right
(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoate + AH2 = (15S)-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoate + A + H2O - PubMed:9261177
left-to-right
2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphocholine + AH2 + O2 = 2-[(15S)-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]-sn- glycero-3-phosphocholine + A + H2O - PubMed:27642067
left-to-right
2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphocholine + AH2 + O2 = 2-[(15R)-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]-sn- glycero-3-phosphocholine + A + H2O - PubMed:27642067
left-to-right
2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphocholine + AH2 + O2 = 2-[(11R)-hydroxy-(5Z,8Z,12E,14Z)-eicosatetraenoyl]-sn- glycero-3-phosphocholine + A + H2O - PubMed:27642067
left-to-right
(9Z,12Z)-octadecadienoate + AH2 + O2 = 9-hydroxy-(10E,12Z)- octadecadienoate + A + H2O - PubMed:11034610, PubMed:11192938
left-to-right
(9Z,12Z)-octadecadienoate + AH2 + O2 = 13-hydroxy-(9Z,11E)- octadecadienoate + A + H2O - PubMed:11034610, PubMed:11192938
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + AH2 + O2 = (15R)-hydroxy- (5Z,8Z,11Z,13E)-eicosatetraenoate + A + H2O - PubMed:11034610, PubMed:11192938
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + AH2 + O2 = (11R)-hydroxy- (5Z,8Z,12E,14Z)-eicosatetraenoate + A + H2O - PubMed:11034610, PubMed:11192938
left-to-right
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + AH2 + O2 = (11R)- hydroxy-(5Z,8Z,12E,14Z,17Z)-eicosapentaenoate + A + H2O - PubMed:11034610, PubMed:11192938
left-to-right PubMed:11034610, PubMed:11192938
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + AH2 + O2 = (18S)- hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate + A + H2O - PubMed:21206090
left-to-right
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + AH2 + O2 = (18R)- hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate + A + H2O - PubMed:11034610, PubMed:11192938, PubMed:21206090
left-to-right PubMed:11034610, PubMed:11192938, PubMed:21206090
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + AH2 + O2 = (15R)- hydroxy-(5Z,8Z,11Z,13E,17Z)-eicosapentaenoate + A + H2O - PubMed:11034610, PubMed:11192938, PubMed:21206090
left-to-right PubMed:11034610, PubMed:11192938, PubMed:21206090
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + AH2 + O2 = (15S)- hydroxy-(5Z,8Z,11Z,13E,17Z)-eicosapentaenoate + A + H2O - PubMed:21206090
left-to-right
(7Z,10Z,13Z,16Z,19Z)-docosapentaenoate + AH2 + O2 = 13R- hydroxy-(7Z,10Z,14E,16Z,19Z)-docosapentaenoate + A + H2O - PubMed:26236990
left-to-right
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate + AH2 + O2 = 13- hydroxy-(4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoate + A + H2O - PubMed:12391014
left-to-right
(5S)-hydroxy-(6E,8Z,11Z,14Z)-eicosatetraenoate + AH2 + O2 = (5S,15R)-dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoate + A + H2O - PubMed:22068350
left-to-right
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate + AH2 + O2 = 17R- hydroxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate + A + H2O - PubMed:12391014
left-to-right
(5S)-hydroxy-(6E,8Z,11Z,14Z)-eicosatetraenoate + AH2 + O2 = (5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoate + A + H2O - PubMed:22068350
left-to-right
(5S)-hydroxy-(6E,8Z,11Z,14Z)-eicosatetraenoate + AH2 + O2 = (5S,11R)-dihydroxy-(6E,8Z,12E,14Z)-eicosatetraenoate + A + H2O - PubMed:22068350, PubMed:26282205
left-to-right PubMed:22068350, PubMed:26282205
2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol + 2 O2 = 2- glyceryl-prostaglandin G2 - PubMed:22942274
left-to-right
2-glyceryl-prostaglandin G2 + AH2 = 2-glyceryl-prostaglandin H2 + A + H2O - PubMed:22942274
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 = (15R)-hydroperoxy- (5Z,8Z,11Z,13E)-eicosatetraenoate - PubMed:9048568
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 = 11R-hydroperoxy- (5Z,8Z,12E,14Z)-eicosatetraenoate - PubMed:9048568
left-to-right
(9Z,12Z)-octadecadienoate + AH2 + O2 = (9R)-hydroxy-(10E,12Z)- octadecadienoate + A + H2O - UniProtKB:P79208
left-to-right
(9Z,12Z)-octadecadienoate + AH2 + O2 = (9S)-hydroxy-(10E,12Z)- octadecadienoate + A + H2O - UniProtKB:P79208
left-to-right
(9Z,12Z)-octadecadienoate + AH2 + O2 = (13S)-hydroxy-(9Z,11E)- octadecadienoate + A + H2O - UniProtKB:P79208
left-to-right
(9Z,12Z)-octadecadienoate + AH2 + O2 = (13R)-hydroxy-(9Z,11E)- octadecadienoate + A + H2O - UniProtKB:P79208
left-to-right