Structure of PDB 1uby Chain A Binding Site BS03

Receptor Information
>1uby Chain A (length=348) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPVVVEREREEFVGFFPQIVRDLTEDGIGHPEVGDAVARLKEVLQYNAPG
GKCNRGLTVVAAYRELSGPGQKDAESLRCALAVGWCIELFQAASLVADDI
MDQSLTRRGQLCWYKKEGVGLDAINDSFLLESSVYRVLKKYCRQRPYYVH
LLELFLQTAYQTELGQMLDLITAPVSKVDLSHFSEERYKAIVKYKTAFYS
FYLPVAAAMYMVGIDSKEEHENAKAILLEMGEYFQIQDDYLDCFGDPALT
GAVGTDIQDNKCSWLVVQCLQRVTPEQRQLLEDNYGRKEPEKVAKVKELY
EAVGMRAAFQQYEESSYRRLQELIEKHSNRLPKEIFLGLAQKIYKRQK
Ligand information
Ligand IDDMA
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKeyCBIDRCWHNCKSTO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCOP(=O)(O)OP(=O)(O)O)C
ACDLabs 10.04O=P(OP(=O)(OC/C=C(/C)C)O)(O)O
OpenEye OEToolkits 1.5.0CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C
CACTVS 3.341CC(C)=CCO[P@](O)(=O)O[P](O)(O)=O
CACTVS 3.341CC(C)=CCO[P](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O7 P2
NameDIMETHYLALLYL DIPHOSPHATE
ChEMBLCHEMBL343480
DrugBankDB01785
ZINCZINC000008215740
PDB chain1uby Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uby Regulation of product chain length by isoprenyl diphosphate synthases.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D117 R126 K214
Binding residue
(residue number reindexed from 1)		D98 R107 K195
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K71 A112 D117 D121 R126 D188 K214 F253 D257 D258
Catalytic site (residue number reindexed from 1) K52 A93 D98 D102 R107 D169 K195 F234 D238 D239
Enzyme Commision number 2.5.1.1: dimethylallyltranstransferase.
2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.
Gene Ontology
Molecular Function
GO:0004161 dimethylallyltranstransferase activity
GO:0004337 geranyltranstransferase activity
GO:0004659 prenyltransferase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0046872 metal ion binding
Biological Process
GO:0006695 cholesterol biosynthetic process
GO:0008299 isoprenoid biosynthetic process
GO:0033384 geranyl diphosphate biosynthetic process
GO:0045337 farnesyl diphosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1uby, PDBe:1uby, PDBj:1uby
PDBsum1uby
PubMed8986756
UniProtP08836|FPPS_CHICK Farnesyl pyrophosphate synthase (Gene Name=FDPS)

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