Structure of PDB 3n3l Chain F

Receptor sequence
>3n3lF (length=343) Species: 9606 (Homo sapiens) [Search protein sequence]
DVYAQEKQDFVQHFSQIVRVLTEDEMGHPEIGDAIARLKEVLEYNAIGGK
YNRGLTVVVAFRELVEPRKQDADSLQRAWTVGWCVELLQAFFLVADDIMD
SSLTRRGQICWYQKPGVGLDAINDANLLEACIYRLLKLYCREQPYYLNLI
ELFLQSSYQTEIGQTLDLLTAPQGNVDLVRFTEKRYKSIVKYKTAFYSFY
LPIAAAMYMAGIDGEKEHANAKKILLEMGEFFQIQDDYLDLFGDPSVTGK
IGTDIQDNKCSWLVVQCLQRATPEQYQILKENYGQKEAEKVARVKALYEE
LDLPAVFLQYEEDSYSHIMALIEQYAAPLPPAVFLGLARKIYK
3D structure
PDB3n3l Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.
ChainF
Resolution2.74 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 MS0 F N59 R60 T63 F206 F239 L344 K347 N52 R53 T56 F199 F232 L337 K340 PDBbind-CN: -logKd/Ki=3.30,IC50>500uM
BindingDB: IC50=>500000000nM
BS02 MS0 F L315 E318 E319 Y322 L308 E311 E312 Y315 PDBbind-CN: -logKd/Ki=3.30,IC50>500uM
BindingDB: IC50=>500000000nM
BS03 PO4 F Q96 R113 Q89 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:3n3l, PDBe:3n3l, PDBj:3n3l
PDBsum3n3l
PubMed20711197
UniProtP14324|FPPS_HUMAN Farnesyl pyrophosphate synthase (Gene Name=FDPS)

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