Structure of PDB 3q1o Chain C Binding Site BS03

Receptor Information
>3q1o Chain C (length=301) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLSSPNLSFYYNECERFESFLKNHHLHLESFHPYLEKAFFEMVLNGGKRF
RPKLFLAVLCALVGQKDYSNQQTEYFKIALSIECLHTYSLIHDDLPCMDN
AALRRNHPTLHAKYDETTAVLIGDALNTYSFELLSNALLESHIIVELIKI
LSANGGIKGMILGQALDCYFENTPLNLEQLTFLHEHKTAKLISASLIMGL
VASGIKDEELFKWLQAFGLKMGLCFQVLDDIIDVTQDEEESGKTTHLDSA
KNSFVNLLGLERANNYAQTLKTEVLNDLDALKPAYPLLQENLNALLNTLF
K
Ligand information
Ligand IDDMA
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
InChIKeyCBIDRCWHNCKSTO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=CCOP(=O)(O)OP(=O)(O)O)C
ACDLabs 10.04O=P(OP(=O)(OC/C=C(/C)C)O)(O)O
OpenEye OEToolkits 1.5.0CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C
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
FormulaC5 H12 O7 P2
NameDIMETHYLALLYL DIPHOSPHATE
ChEMBLCHEMBL343480
DrugBankDB01785
ZINCZINC000008215740
PDB chain3q1o Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3q1o Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S88 D92 R103 M159 Q163 K186 K242
Binding residue
(residue number reindexed from 1)		S89 D93 R104 M160 Q164 K187 K243
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004659 prenyltransferase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0008299 isoprenoid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3q1o, PDBe:3q1o, PDBj:3q1o
PDBsum3q1o
PubMed23493556
UniProtO25583

[Back to BioLiP]