Structure of PDB 8x36 Chain B Binding Site BS02

Receptor Information
>8x36 Chain B (length=240) Species: 4081 (Solanum lycopersicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCSLNLQTEKLCYELMPKHIALIMDGNRRWAKDKGLEVYEGHKHIIPKLK
EICDISSKLGIQIITAFAFSTENWKRSKEEVDFLLQMFEEIYDEFSRSGV
RVSIIGCKSDLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQAT
KSIVNKAMNGLLDVEDINKNLFDQELESKCPNPDLLIRTGGEQRVSNFLL
WQLAYTEFYFTNTLFPDFGEEDLKEAIMNFQQRHRRFGGH
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 chain8x36 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8x36 Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		D86 R137 R249 E253 S257
Binding residue
(residue number reindexed from 1)		D25 R76 R188 E192 S196
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.28: dimethylallylcistransferase.
Gene Ontology
Molecular Function
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

View graph for
Molecular Function
External links
PDB RCSB:8x36, PDBe:8x36, PDBj:8x36
PDBsum8x36
PubMed38225831
UniProtC1K5M2|CPT1_SOLLC Dimethylallylcistransferase CPT1, chloroplastic (Gene Name=CPT1)

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