Structure of PDB 4tq3 Chain A Binding Site BS01

Receptor Information
>4tq3 Chain A (length=283) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKYLRLLRPVAWLCFLLPYAVGFGFGITPNASLQHAVLGLLSFAFWMAFS
FTINALYDRDVDRLHDGLNLSMQPLVTGEISVREAWLYCIAFLALSLATA
AAINEKFFLAMLGANIIGYVYSAPPRFKAWPVMDVICNALAAVLAFYAGL
SIGGAEVPIAIYPAAFFLAATFYIPTAVSDYEFDKKAGLKNTPVFFGPER
ALKSLYPLSAITVILWAYVFLMAERIEIKVISPLIIAYTLIYTFIINSRW
DGEKLNVSPNLILTPFGIISALFIAYGFAVISV
Ligand information
Ligand IDGPP
InChIInChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
InChIKeyGVVPGTZRZFNKDS-JXMROGBWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C
CACTVS 3.341CC(C)=CCCC(/C)=C/CO[P@](O)(=O)O[P](O)(O)=O
CACTVS 3.341CC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04O=P(OP(=O)(OC/C=C(/CC\C=C(/C)C)C)O)(O)O
FormulaC10 H20 O7 P2
NameGERANYL DIPHOSPHATE
ChEMBLCHEMBL41342
DrugBankDB02552
ZINCZINC000008215849
PDB chain4tq3 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4tq3 Structure of a Membrane-Embedded Prenyltransferase Homologous to UBIAD1.
Resolution2.4076 Å
Binding residue
(original residue number in PDB)		R22 S64 F65 N68 L88 Y139 K146
Binding residue
(residue number reindexed from 1)		R8 S50 F51 N54 L70 Y121 K128
Annotation score4
Binding affinityMOAD: Kd=3.2uM
PDBbind-CN: -logKd/Ki=5.49,Kd=3.2uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4tq3, PDBe:4tq3, PDBj:4tq3
PDBsum4tq3
PubMed25051182
UniProtO28625

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