Structure of PDB 2uuu Chain A Binding Site BS02

Receptor Information
>2uuu Chain A (length=550) Species: 44689 (Dictyostelium discoideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGSPKEHIDLYQQIKWNGWGDTRKFLHQLKPSGTIAMTTPEVSSVPLPSL
RGFIKKELTKPFVLDETPALQIENIHVDPPKQYPEFVRELKAFFLPDQLK
DDKLARITHTFGKSLRDLIRVRIGQVKNAPDLIVLPHSHEEVERLVQLAH
KYNVVIIPMGGGSNIVGAIEPVSNERFTVSIDMRRMNKVLWVDRREMTAC
IQVGIMGPELEKQLHKQGVSLGHDPDSFEFSTLGGWLATCSSGHQSDKYG
DIEDMAVSFRTVTPTGTLELRGINYKHIILGSEGTLGIITEAVMKVHAVP
QAVEYYGFLFPTFAHAVSALQQIRSSEVIPTMIRVYDPEETQLSFAWKPS
KGAVSEFTSAMVKKYLHYIRSFDFKNVCLSIIGFEGPKKVVDFHRTSVFD
ILSKNAAFGLGSAPGKTWAEKRYDLPYIRDFLLDHNMWVDVAETTVSYAN
LQTLWKDAKQTFVKHFKDQGIPAWICAHISHTYTNGVCLYFIFASKQNEN
KDMAQYIEAKKLMTDIIFKYGGSLSRGWINVYRSLKETIDPKDICNPRKL
Ligand information
Ligand IDPL3
InChIInChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKeyBXWNKGSJHAJOGX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OCCCCCCCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCCCCCO
FormulaC16 H34 O
NameHEXADECAN-1-OL
ChEMBLCHEMBL706
DrugBankDB09494
ZINCZINC000008214519
PDB chain2uuu Chain A Residue 1588 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2uuu The Crucial Step in Ether Phospholipid Biosynthesis: Structural Basis of a Noncanonical Reaction Associated with a Peroxisomal Disorder.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		I176 I446 R447 V459 W492 I510
Binding residue
(residue number reindexed from 1)		I165 I428 R429 V441 W474 I492
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.26: alkylglycerone-phosphate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008609 alkylglycerone-phosphate synthase activity
GO:0016740 transferase activity
GO:0042802 identical protein binding
GO:0043178 alcohol binding
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0006629 lipid metabolic process
GO:0008610 lipid biosynthetic process
GO:0008611 ether lipid biosynthetic process
Cellular Component
GO:0005777 peroxisome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2uuu, PDBe:2uuu, PDBj:2uuu
PDBsum2uuu
PubMed17562315
UniProtO96759|ADAS_DICDI Alkyldihydroxyacetonephosphate synthase (Gene Name=eapA)

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