Brand  (β version)

PDB ID: 5JAD

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Ligands
Code Name Style Show Link
CL Chloride ion PoSSuM
DMS Dimethyl sulfoxide PoSSuM
FB2 Benzenesulfonamide PoSSuM
MG Magnesium ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5JAD   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Compound binding to Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2)discovered through fragment screening
Release Data : 2016-05-25
Compound :
mol_id molecule chains synonym
1 Platelet-activating factor acetylhydrolase A PAF acetylhydrolase,1-alkyl-2-acetylglycerophosphocholine esterase,2-acetyl-1-alkylglycerophosphocholine esterase,Group-VIIA phospholipase A2,gVIIA-PLA2,LDL-associated phospholipase A2,LDL-PLA(2),PAF 2-acylhydrolase
ec: 3.1.1.47
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: PLA2G7, PAFAH
expression_system_strain: BL21 (DE3)
expression_system_vector_type: pET30a
Authors : Day, P.J., Woolford, A.J.-A.
Keywords : phospholipase, lipid metabolism, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.05 Å )
Citation :

Exploitation of a Novel Binding Pocket in Human Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Discovered through X-ray Fragment Screening.

Woolford, A.J.,Pero, J.E.,Aravapalli, S.  et al.
(2016)  J.Med.Chem.  59 : 5356 - 5367

PubMed: 27167608
DOI: 10.1021/acs.jmedchem.6b00212

Reaction

Chain : A
UniProt : Q13093 (PAFA_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
a 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine + H2O = 1-O- alkyl-sn-glycero-3-phosphocholine + acetate + H(+) 3.1.1.47 PubMed:10066756, PubMed:16371369, PubMed:18434304, PubMed:7592717, PubMed:7700381, PubMed:8624782, PubMed:8675689
left-to-right PubMed:8675689
1-O-decyl-2-acetyl-sn-glycero-3-phosphocholine + H2O = 1-O- decyl-sn-glycero-3-phosphocholine + acetate + H(+) - PubMed:10504265
left-to-right
1-O-dodecyl-2-acetyl-sn-glycero-3-phosphocholine + H2O = 1-O- dodecyl-sn-glycero-3-phosphocholine + acetate + H(+) - PubMed:10504265
left-to-right
1-O-tetradecyl-2-acetyl-sn-glycero-3-phosphocholine + H2O = 1- O-tetradecyl-sn-glycero-3-phosphocholine + acetate + H(+) - PubMed:10504265
left-to-right
1-O-hexadecyl-2-acetyl-sn-glycero-3-phosphocholine + H2O = 1- O-hexadecyl-sn-glycero-3-phosphocholine + acetate + H(+) - PubMed:10504265, PubMed:11590221
left-to-right PubMed:10504265
1-O-octadecyl-2-acetyl-sn-glycero-3-phosphocholine + H2O = 1- O-octadecyl-sn-glycero-3-phosphocholine + acetate + H(+) - PubMed:10504265
left-to-right
1-hexadecanoyl-2-acetyl-sn-glycero-3-phosphocholine + H2O = 1- hexadecanoyl-sn-glycero-3-phosphocholine + acetate + H(+) - PubMed:2040620
left-to-right
1-hexadecanoyl-2-propionyl-sn-glycero-3-phosphocholine + H2O = 1-hexadecanoyl-sn-glycero-3-phosphocholine + H(+) + propanoate - PubMed:2040620
left-to-right
1-hexadecanoyl-2-butanoyl-sn-glycero-3-phosphocholine + H2O = 1-hexadecanoyl-sn-glycero-3-phosphocholine + butanoate + H(+) - PubMed:2040620
left-to-right
1-hexadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine + H2O = 1-hexadecanoyl-sn-glycero-3-phosphocholine + H(+) + pentanoate - PubMed:2040620
left-to-right
1-hexadecanoyl-2-glutaroyl-sn-glycero-3-phosphocholine + H2O = 1-hexadecanoyl-sn-glycero-3-phosphocholine + glutarate + H(+) - PubMed:2040620, PubMed:7700381
left-to-right
1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine + H2O = 1-hexadecanoyl-sn-glycero-3-phosphocholine + 5-oxopentanoate + H(+) - PubMed:16371369, PubMed:2040620
left-to-right
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine + H2O = 1-hexadecanoyl-sn-glycero-3-phosphocholine + 9-oxononanoate + H(+) - PubMed:2040620
left-to-right
1-hexadecanoyl-2-[9-hydroperoxy-(10E-octadecenoyl)]-sn- glycero-3-phosphocholine + H2O = 1-hexadecanoyl-sn-glycero-3- phosphocholine + 9-hydroperoxy-10E-octadecenoate + H(+) - PubMed:16371369, PubMed:17090529
left-to-right
1-hexadecanoyl-2-(10-hydroperoxy-8E-octadecenoyl)-sn-glycero- 3-phosphocholine + H2O = 1-hexadecanoyl-sn-glycero-3-phosphocholine + 10-hydroperoxy-(8E)-octadecenoate + H(+) - PubMed:17090529
left-to-right