Brand  (β version)

PDB ID: 5AE2

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Ligands
Code Name Style Show Link
FYC 3-(2-fluorophenyl)-2-methyl-N-((2-oxo-2,3-dihydro-1h-benzo[D]imidazol-5-yl)methyl)acrylamide PoSSuM
FAD Flavin-adenine dinucleotide PoSSuM
SO4 Sulfate ion PoSSuM
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Structure summary

Code : 5AE2   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1e
Release Data : 2015-09-09
Compound :
mol_id molecule chains synonym
1 ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL A,B,C,D ALKYL-DHAP SYNTHASE, ALKYLGLYCERONE-PHOSPHATE SYNTHASE, ALKYL-DIHYDROXYACETONEPHOSPHATE SYNTHASE
Source :
mol_id organism_scientific organism_common expression_system
1 CAVIA PORCELLUS  (taxid:10141) DOMESTIC GUINEA PIG ESCHERICHIA COLI  (taxid:511693)
expression_system_strain: BL21
expression_system_vector_type: PLASMID
expression_system_vector: PET-SUMO
Authors : Piano, V., Benjamin, D.I., Valente, S., Nenci, S., Marrocco, B., Mai, A., Aliverti, A., Nomura, D.K., Mattevi, A.
Keywords : TRANSFERASE, ETHER PHOSPHOLIPID, CANCER, FLAVIN
Exp. method : X-RAY DIFFRACTION ( 2.00 Å )
Citation :

Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents.

Piano, V.,Benjamin, D.I.,Valente, S.  et al.
(2015)  Acs Chem.Biol.  10 : 2589 - 2597

PubMed: 26322624
DOI: 10.1021/ACSCHEMBIO.5B00466

Reaction

Chain : A, B, C, D
UniProt : P97275 (ADAS_CAVPO)
Reaction: EC: Evidence:
Physiological Direction:
a 1-acylglycerone 3-phosphate + a long chain fatty alcohol = 1-O-alkylglycerone 3-phosphate + a long-chain fatty acid + H(+) 2.5.1.26 PubMed:10692424, PubMed:23112191, PubMed:8399344, PubMed:9989261
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1-hexadecanoylglycerone 3-phosphate + hexadecan-1-ol = 1-O- hexadecylglycerone 3-phosphate + H(+) + hexadecanoate - PubMed:10692424, PubMed:8399344, PubMed:9989261
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1-hexadecanoylglycerone 3-phosphate + a long-chain fatty acid = a 1-acylglycerone 3-phosphate + hexadecanoate - UniProtKB:Q8C0I1
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