Structure of PDB 3lkk Chain B Binding Site BS02

Receptor Information
>3lkk Chain B (length=238) 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
DMAELLKPDVAVFLTDVDGIYSKDPKRNPDAVLLRDIDTNITFDIGKKFE
SMVKMKSSVKNGVYLINGNHPERIGDIGKESFIGTVIR
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 chain3lkk Chain B Residue 247 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lkk X-ray structures of isopentenyl phosphate kinase.
Resolution2.001 Å
Binding residue
(original residue number in PDB)		K5 G44 G45 G49 H50 G128 D129 I140 S142 G143
Binding residue
(residue number reindexed from 1)		K7 G46 G47 G51 H52 G130 D131 I142 S144 G145
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:3lkk, PDBe:3lkk, PDBj:3lkk
PDBsum3lkk
PubMed20402538
UniProtQ9HLX1|IPK_THEAC Isopentenyl phosphate kinase (Gene Name=Ta0103)

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