Structure of PDB 8kgb Chain D Binding Site BS02

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 D 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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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)		M85 D86 F128 N134 R253 R259 S261
Binding residue
(residue number reindexed from 1)		M21 D22 F64 N70 R187 R193 S195
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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