Structure of PDB 3n5j Chain F

Receptor sequence
>3n5jF (length=343) Species: 9606 (Homo sapiens) [Search protein sequence]
DVYAQEKQDFVQHFSQIVRVLTEDEMGHPEIGDAIARLKEVLEYNAIGGK
YNRGLTVVVAFRELVEPRKQDADSLQRAWTVGWCVELLQAFFLVADDIMD
SSLTRRGQICWYQKPGVGLDAINDANLLEACIYRLLKLYCREQPYYLNLI
ELFLQSSYQTEIGQTLDLLTAPQGNVDLVRFTEKRYKSIVKYKTAFYSFY
LPIAAAMYMAGIDGEKEHANAKKILLEMGEFFQIQDDYLDLFGDPSVTGK
IGTDIQDNKCSWLVVQCLQRATPEQYQILKENYGQKEAEKVARVKALYEE
LDLPAVFLQYEEDSYSHIMALIEQYAAPLPPAVFLGLARKIYK
3D structure
PDB3n5j Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
ChainF
Resolution2.35 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.5.1.1: dimethylallyltranstransferase.
2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 GO1 F K57 N59 R60 S205 F206 F239 K347 K50 N52 R53 S198 F199 F232 K340 MOAD: ic50=6uM
PDBbind-CN: -logKd/Ki=5.22,IC50=6uM
BindingDB: IC50=6e+3nM
BS02 GO1 F S109 L110 T111 T260 D264 S102 L103 T104 T253 D257 MOAD: ic50=6uM
PDBbind-CN: -logKd/Ki=5.22,IC50=6uM
BindingDB: IC50=6e+3nM
BS03 PO4 F G56 K57 R113 G49 K50 R106
Gene Ontology
Molecular Function
GO:0004659 prenyltransferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0008299 isoprenoid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3n5j, PDBe:3n5j, PDBj:3n5j
PDBsum3n5j
PubMed20711197
UniProtP14324|FPPS_HUMAN Farnesyl pyrophosphate synthase (Gene Name=FDPS)

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