Structure of PDB 3ph7 Chain D Binding Site BS01

Receptor Information
>3ph7 Chain D (length=339) Species: 5855 (Plasmodium vivax) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFFRNMYDKYRDAFLSHLNEYSLEEEIKEHISKYYKLLFDYNCLGGKNNR
GILVILIYEYVNSSEWEKAACLAWCIEILQAAFLVADDIMDKGEMRRNKY
CWYLLKDVETKNAVNDVLLLYNSIYKLIEIYLRNESCYVDVIATFRDATL
KTIIGQHLDTNIFSDKYSDREIDVNNINVEQPVIDINMINFGVYKNIVIH
KTAYYSFFLPIVCGMLLAGIVDNLIYKKIEDISMLMGEYFQIHDDYLDIF
GSDIQNNKLTWPLIKTFELCSEPDKIKIVKNYGKNNLACVKVIDSLYEQY
IRKHYESYEKAQKAKILSAINELHHEGIEYVLKYLLEIL
Ligand information
Ligand IDGRG
InChIInChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+
InChIKeyOINNEUNVOZHBOX-QIRCYJPOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)=CCCC(/C)=C/CC\C(C)=C\CC\C(C)=C\CO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.5CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C
OpenEye OEToolkits 1.7.5CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OC/C=C(/CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C
FormulaC20 H36 O7 P2
NameGERANYLGERANYL DIPHOSPHATE
ChEMBLCHEMBL1229266
DrugBank
ZINCZINC000012495043
PDB chain3ph7 Chain C Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ph7 Molecular characterization of a novel geranylgeranyl pyrophosphate synthase from Plasmodium parasites.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N154 L157
Binding residue
(residue number reindexed from 1)		N115 L118
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K81 A121 D126 D130 R135 D198 K243 F283 D287 D288
Catalytic site (residue number reindexed from 1) K47 A82 D87 D91 R96 D159 K201 F240 D244 D245
Enzyme Commision number ?
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:0008299 isoprenoid biosynthetic process
GO:0045337 farnesyl diphosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ph7, PDBe:3ph7, PDBj:3ph7
PDBsum3ph7
PubMed21084289
UniProtA5K4U6

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