Structure of PDB 5hxp Chain A Binding Site BS01

Receptor Information
>5hxp Chain A (length=224) Species: 62890 (Solanum habrochaites) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDEALMPKHIALIMDGNRRWAKDKGLDVSEGYKHLFPKLKEICDISSKLG
IQVITAFAFSTENEVDFLMQMFEELYDEFSRSGVRVSIIGCKTDLPMTLQ
KCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVNKAMNGLLDVED
INKNLFDQELESKCPNPDLLIRTGGDQRVSNFLLWQLAYTEFYFTKTLFP
DFGEEDLKEAIINFQQRHRRFGGH
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 chain5hxp Chain A 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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PDB5hxp Crystal Structure and Potential Head-to-Middle Condensation Function of aZ,Z-Farnesyl Diphosphate Synthase.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		F128 R249 S257
Binding residue
(residue number reindexed from 1)		F57 R172 S180
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D86 Y103 L193
Catalytic site (residue number reindexed from 1) D15 Y32 L116
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:5hxp, PDBe:5hxp, PDBj:5hxp
PDBsum5hxp
PubMed30023621
UniProtB8XA40|ZFPS_SOLHA (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic (Gene Name=ZFPS)

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