Brand  (β version)

PDB ID: 5G3M

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Ligands
Code Name Style Show Link
CA Calcium ion PoSSuM
DMS Dimethyl sulfoxide PoSSuM
PEG Di(hydroxyethyl)ether PoSSuM
9JH 4-benzylbenzamide PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5G3M   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Discovery of a novel secreted phospholipase A2 (sPLA2) inhibitor.
Release Data : 2016-09-14
Compound :
mol_id molecule chains synonym
1 GROUP 10 SECRETORY PHOSPHOLIPASE A2 A,B SECRETED PHOSPHOLIPASE A2, GROUP X SECRETORY PHOSPHOLIPASE A SPLA2-X, PHOSPHATIDYLCHOLINE 2-ACYLHYDROLASE 10
ec: 3.1.1.4
fragment: MATURE SPLA2-X, UNP RESIDUES 43-165
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_variant: GOLD
expression_system_plasmid: PET24A
Authors : Sandmark, J., Bodin, C., Hallberg, K.
Keywords : HYDROLASE, SPLA2, CARDIOVASCULAR DISEASE, INHIBITOR, FRAGMENT
Exp. method : X-RAY DIFFRACTION ( 1.85 Å )
Citation :

Discovery of Azd2716: A Novel Secreted Phospholipase A2 (Spla2) Inhibitor for the Treatment of Coronary Artery Disease

Giordanetto, F.,Pettersen, D.,Starke, I.  et al.
(2016)  Acs Med.Chem.Lett.  7 : 884

PubMed: 27774123
DOI: 10.1021/ACSMEDCHEMLETT.6B00188

Reaction

Chain : A, B
UniProt : O15496 (PA2GX_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a 1,2-diacyl-sn-glycero-3-phosphocholine + H2O = a 1-acyl-sn- glycero-3-phosphocholine + a fatty acid + H(+) 3.1.1.4 PROSITE-ProRule:PRU10035, PROSITE-ProRule:PRU10036, PubMed:12021277
left-to-right PubMed:12021277
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine + H2O = 1-hexadecanoyl-sn-glycero-3-phosphocholine + (9Z)- octadecenoate + H(+) - PubMed:12359733, PubMed:16962371
left-to-right
1-octadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero- 3-phosphocholine + H2O = 1-octadecanoyl-sn-glycero-3-phosphocholine + (5Z,8Z,11Z,14Z)-eicosatetraenoate + H(+) - PubMed:12359733
left-to-right
1,2-dihexadecanoyl-sn-glycero-3-phosphocholine + H2O = 1- hexadecanoyl-sn-glycero-3-phosphocholine + hexadecanoate + H(+) - PubMed:12359733
left-to-right
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3- phosphoglycerol + H2O = 1-hexadecanoyl-sn-glycero-3-phosphoglycerol + (9Z)-octadecenoate + H(+) - PubMed:12359733
left-to-right
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) + H2O = 1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) + hexadecanoate + H(+) - UniProtKB:Q9QXX3
left-to-right
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-L- serine + H2O = 1-hexadecanoyl-sn-glycero-3-phospho-L-serine + (9Z)- octadecenoate + H(+) - PubMed:12359733
left-to-right
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3- phosphoethanolamine + H2O = 1-hexadecanoyl-sn-glycero-3- phosphoethanolamine + (9Z,12Z)-octadecadienoate + H(+) - PubMed:12359733
left-to-right
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate + H2O = 1-hexadecanoyl-sn-glycero-3-phosphate + (9Z)-octadecenoate + H(+) - PubMed:12359733
left-to-right
1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine + H2O = 1- O-hexadecyl-sn-glycero-3-phosphocholine + acetate + H(+) - PubMed:16962371
left-to-right
Cofactor: Evidence: Note:
Ca(2+) ECO:0000269 | PubMed:12161451
ECO:0000269 | PubMed:9188469
Binds 1 Ca(2+) ion per subunit.