Structure of PDB 2for Chain A Binding Site BS01

Receptor Information
>2for Chain A (length=283) Species: 623 (Shigella flexneri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFPQQLEACVKQANQALSRFIAPLPFQNTPVVETMQYGALLGGKRLRPFL
VYATGHMFGVSTNTLDAPAAAVECIHAYSLIHDDLPAMDDDDLRRGLPTC
HVKFGEANAILAGDALQTLAFSILSDANMPEVSDRDRISMISELASASGI
AGMCGGQALDLDAEGKHVPLDALERIHRHKTGALIRAAVRLGALSAGDKG
RRALPVLDKYAESIGLAFQVQDDILDVVGGKSTYPALLGLEQARKKARDL
IDDARQALKQLAEQSLDTSALEALADYIIQRNK
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 chain2for Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2for Crystal Structure of the Shigella flexneri Farnesyl Pyrophosphate Synthase Complex with an Isopentenyl Pyrophosphate
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K45 L47 R48 D223 R297
Binding residue
(residue number reindexed from 1)		K44 L46 R47 D222 R281
Annotation score3
Enzymatic activity
Enzyme Commision number 2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.
Gene Ontology
Molecular Function
GO:0004337 geranyltranstransferase activity
GO:0004659 prenyltransferase activity
GO:0016740 transferase activity
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0045337 farnesyl diphosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2for, PDBe:2for, PDBj:2for
PDBsum2for
PubMed
UniProtA0A0H2UXE9

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