Structure of PDB 3ll5 Chain D Binding Site BS02

Receptor Information
>3ll5 Chain D (length=234) Species: 273075 (Thermoplasma acidophilum DSM 1728) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FTMMILKIGGSVITDKSAYRTARTYAIRSIVKVLSGIEDLVCVVHGGGSF
GHIKAMEFGLPGPKNPRSSIGYSIVHRDMENLDLMVIDAMIEMGMRPISV
PISALRYDGRFDYTPLIRYIDAGFVPVSYGDVYIKDEHSYGIYSGDDIMA
DMAELLKPDVAVFLTDVDGIYSKDPKRNPDAVLLRDIDTNIGKKFESMVK
MKSSVKNGVYLINGNHPERIGDIGKESFIGTVIR
Ligand information
Ligand IDIP8
InChIInChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)
InChIKeyQMZRXYCCCYYMHF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(OCCC(=C)\C)(O)O
OpenEye OEToolkits 1.7.6CC(=C)CCOP(=O)(O)O
CACTVS 3.370CC(=C)CCO[P](O)(O)=O
FormulaC5 H11 O4 P
NameIsopentenyl phosphate;
3-methylbut-3-en-1-yl dihydrogen phosphate
ChEMBLCHEMBL342070
DrugBank
ZINCZINC000002557111
PDB chain3ll5 Chain D Residue 247 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ll5 X-ray structures of isopentenyl phosphate kinase.
Resolution1.987 Å
Binding residue
(original residue number in PDB)		G44 G45 G49 G128
Binding residue
(residue number reindexed from 1)		G46 G47 G51 G130
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.4.26: isopentenyl phosphate kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0102043 isopentenyl phosphate kinase activity
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0016310 phosphorylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ll5, PDBe:3ll5, PDBj:3ll5
PDBsum3ll5
PubMed20402538
UniProtQ9HLX1|IPK_THEAC Isopentenyl phosphate kinase (Gene Name=Ta0103)

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