Structure of PDB 5hxt Chain B Binding Site BS02

Receptor Information
>5hxt Chain B (length=226) Species: 62890 (Solanum habrochaites) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDEALMPKHIALIMDGNRRWAKDKGLDVSEGYKHLFPKLKEICDISSKL
GIQVITAFAFSTENWKRAKGEVDFLMQMFEELYDEFSRSGVRVSIIGCKT
DLPMTLQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVNKAMN
GLLDVEDINKNLFDQELESKCPNPDLLIRTGGDQRVSNFLLWQLAYTEFY
FTKTLFPDFGEEDLKEAIINFQQRHR
Ligand information
Ligand IDIPR
InChIInChI=1S/C5H14O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h5H,3-4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKeyIPFXNYPSBSIFOB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCOP(=O)(O)OP(=O)(O)O
CACTVS 3.341CC(C)CCO[P@](O)(=O)O[P](O)(O)=O
CACTVS 3.341CC(C)CCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OP(=O)(O)O)(OCCC(C)C)O
OpenEye OEToolkits 1.5.0CC(C)CCO[P@@](=O)(O)OP(=O)(O)O
FormulaC5 H14 O7 P2
NameISOPENTYL PYROPHOSPHATE
ChEMBL
DrugBankDB02508
ZINCZINC000002579357
PDB chain5hxt Chain B Residue 403 [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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PDB5hxt Crystal Structure and Potential Head-to-Middle Condensation Function of a Z,Z-Farnesyl Diphosphate Synthase
Resolution2.15 Å
Binding residue
(original residue number in PDB)		F128 N134 R249 R255 S257
Binding residue
(residue number reindexed from 1)		F58 N64 R179 R185 S187
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D86 Y103 L193
Catalytic site (residue number reindexed from 1) D16 Y33 L123
Enzyme Commision number 2.5.1.92: (2Z,6Z)-farnesyl diphosphate synthase.
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:5hxt, PDBe:5hxt, PDBj:5hxt
PDBsum5hxt
PubMed
UniProtB8XA40|ZFPS_SOLHA (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic (Gene Name=ZFPS)

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