Structure of PDB 8x36 Chain B Binding Site BS01

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 A Residue 402 [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)		R297 G299
Binding residue
(residue number reindexed from 1)		R236 G238
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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