Structure of PDB 8x35 Chain A Binding Site BS02

Receptor Information
>8x35 Chain A (length=229) Species: 4081 (Solanum lycopersicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCSLNCLMPKHIALIMDGNRRWAKDKGLEVYEGHKHIIPKLKEICDISSK
LGIQIITAFAFSTENWKRSKEEVDFLLQMFEEIYDEFSRSGVRVSIIGCK
SDLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVNKAM
NGLLDVEDINKNLFDQELESKCPNPDLLIRTGGEQRVSNFLLWQLAYTEF
YFTNTLFPDFGEEDLKEAIMNFQQRHRRF
Ligand information
Ligand IDDST
InChIInChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKeyZWFWSISPSBLNGO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=CCSP(=O)(O)OP(=O)(O)O)C
OpenEye OEToolkits 2.0.7CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C
ACDLabs 12.01OP(O)(=O)OP(O)(=O)SC\C=C(\C)C
CACTVS 3.385CC(C)=CCS[P](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O6 P2 S
NameDIMETHYLALLYL S-THIOLODIPHOSPHATE;
DMASPP;
DMAPP;
DMADP;
Dimethylallyl pyrophosphate;
dimethylallyl diphosphate;
isoprenyl pyrophosphate
ChEMBL
DrugBank
ZINC
PDB chain8x35 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8x35 Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		M85 D86 G87 N88 R89 R90 N134 R137
Binding residue
(residue number reindexed from 1)		M16 D17 G18 N19 R20 R21 N65 R68
Annotation score2
Enzymatic activity
Enzyme Commision number 2.5.1.28: dimethylallylcistransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004659 prenyltransferase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0045547 dehydrodolichyl diphosphate synthase activity
GO:0046872 metal ion binding
GO:0047863 dimethylallylcistransferase activity
Biological Process
GO:0009409 response to cold
GO:0009668 plastid membrane organization
GO:0016094 polyprenol biosynthetic process
Cellular Component
GO:0009507 chloroplast
GO:0009570 chloroplast stroma

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8x35, PDBe:8x35, PDBj:8x35
PDBsum8x35
PubMed38225831
UniProtC1K5M2|CPT1_SOLLC Dimethylallylcistransferase CPT1, chloroplastic (Gene Name=CPT1)

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