Structure of PDB 4llt Chain A Binding Site BS02

Receptor Information
>4llt Chain A (length=300) Species: 375451 (Roseobacter denitrificans OCh 114) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLGTENLYFQSMFTQRLDAAAAAVQAHFDKVLAAFEPLPIVEAMAHATSG
GKRLRGFLVLETARLHDIAAGEAIWSATAIEALHAYSLVHDDLPCMDNDD
MRRGQPTVHKKWDDATAVLAGDALQTLAFELVTHPGASASAEVRADLALS
LARASGAQGMVLGQALDIAAETARAPLSLDEITRLQQGKTGALIGWSAQA
GARLAQADTAALKRYAQALGLAFQIADDILDVTGDSAQVGKAVGKDASAG
KATFVSLLGLDAARARAMSLIDEACDSLATYGAKADTLRETARFVVRRTH
Ligand information
Ligand IDIPE
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
InChIKeyNUHSROFQTUXZQQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=C)CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(=C)CCOP(=O)(O)OP(=O)(O)O
ACDLabs 10.04O=P(OP(=O)(O)O)(OCC\C(=C)C)O
OpenEye OEToolkits 1.5.0CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O
CACTVS 3.341CC(=C)CCO[P@](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O7 P2
Name3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE;
ISOPENTENYL PYROPHOSPHATE
ChEMBLCHEMBL356362
DrugBankDB04714
ZINCZINC000008215654
PDB chain4llt Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4llt Crystal structure of a farnesyl diphosphate synthase from Roseobacter denitrificans OCh 114, target EFI-509393, with two IPP and calcium bound in active site
Resolution1.55 Å
Binding residue
(original residue number in PDB)		S76 D80 R91 K178 K230
Binding residue
(residue number reindexed from 1)		S87 D91 R102 K189 K241
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D18
Catalytic site (residue number reindexed from 1) D29
Enzyme Commision number 2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.
Gene Ontology
Molecular Function
GO:0004337 geranyltranstransferase activity
GO:0004659 prenyltransferase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0008299 isoprenoid 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:4llt, PDBe:4llt, PDBj:4llt
PDBsum4llt
PubMed
UniProtQ16CN9

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