Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

Structure of PDB 2dm6 Chain A Binding Site BS02

Receptor Information >2dm6 Chain A (length=331) Species: 10141 (Cavia porcellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] EFMVKAKSWTLKKHFQGKPTQSDFELKTVELPPLKNGEVLLEALFLSVDP YMRIASKRLKEGAVMMGQQVARVVESKNSAFPAGSIVLAQSGWTTHFISD GKGLEKLLTEWPDKLPLSLALGTIGMPGLTAYFGLLEVCGVKGGETVLVS AAAGAVGSVVGQIAKLKGCKVVGAAGSDEKIAYLKQIGFDAAFNYKTVNS LEEALKKASPDGYDCYFDNVGGEFLNTVLSQMKDFGKIAICGAISVYNRM DQLPPGPSPESIIYKQLRIEGFIVYRWQGDVREKALRDLMKWVLEGKIQY HEHVTKGFENMPAAFIEMLNGANLGKAVVTA

Ligand information Ligand ID IMN InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) InChIKey CGIGDMFJXJATDK-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3 ACDLabs 10.04 Clc1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)O OpenEye OEToolkits 1.5.0 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O Formula C19 H16 Cl N O4 Name INDOMETHACIN ChEMBL CHEMBL6 DrugBank DB00328 ZINC ZINC000000601283 PDB chain 2dm6 Chain A Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2dm6 Crystal structure of anti-configuration of indomethacin and leukotriene B4 12-hydroxydehydrogenase/15-oxo-prostaglandin 13-reductase complex reveals the structural basis of broad spectrum indomethacin efficacy Resolution 2.0 Å Binding residue (original residue number in PDB) Y49 I52 A53 R56 Y245 I271 Binding residue (residue number reindexed from 1) Y51 I54 A55 R58 Y247 I273 Annotation score 1 Binding affinity MOAD: ic50=97.9uM

Enzymatic activity Enzyme Commision number 1.3.1.48: 15-oxoprostaglandin 13-reductase. 1.3.1.74: 2-alkenal reductase [NAD(P)(+)].

Gene Ontology Molecular Function GO:0016491 oxidoreductase activity GO:0016628 oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor GO:0032440 2-alkenal reductase [NAD(P)+] activity GO:0035798 2-alkenal reductase (NADPH) activity GO:0036185 13-lipoxin reductase activity GO:0047522 15-oxoprostaglandin 13-oxidase [NAD(P)+] activity GO:0097257 leukotriene B4 12-hydroxy dehydrogenase activity

	Biological Process
GO:0006693	prostaglandin metabolic process
GO:0036102	leukotriene B4 metabolic process
GO:2001302	lipoxin A4 metabolic process

	Cellular Component
GO:0005737	cytoplasm

View graph for Molecular Function

View graph for Biological Process

View graph for Cellular Component