Structure of PDB 8kgb Chain D Binding Site BS01

Receptor Information
>8kgb Chain D (length=240) Species: 3702,4081 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CSLNLQTEKLCLMPKHIALIMDGNRRWAKDKGLEVYEGHKHIIPKLKEIC
DISSKLGIQIITAFAFSTENWKRSKEEVDFLLSLFERSLKTEFQNKNNVR
ISIIGCKSDLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATK
SIVNKAMNGLLDVEDINKNLFDQELESKCPNPDLLIRTGGEQRVSNFLLW
QLAYTEFYFTNTLFPDFGEEDLKEAIMNFQQRHRRFGGHT
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 chain8kgb Chain C 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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PDB8kgb A versatile system for enzymatic synthesis of natural and unnatural polyisoprenoids on rubber particles
Resolution2.32 Å
Binding residue
(original residue number in PDB)		R301 G303
Binding residue
(residue number reindexed from 1)		R235 G237
Annotation score5
External links
PDB RCSB:8kgb, PDBe:8kgb, PDBj:8kgb
PDBsum8kgb
PubMed
UniProtC1K5M2|CPT1_SOLLC Dimethylallylcistransferase CPT1, chloroplastic (Gene Name=CPT1);
Q56Y11

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