Structure of PDB 2lh8 Chain A Binding Site BS01

Receptor Information
>2lh8 Chain A (length=104) Species: 10036 (Mesocricetus auratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGGYMLGSAMSRPMMHFGNDWEDRYYRENMNRYPNQVYYRPVDQYNNQNN
FVHDCVNITIKQHTVTTTTKGENFTETDIKIMERVVEQMCTTQYQKESQA
YYDG
Ligand information
Ligand IDVIB
InChIInChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1
InChIKeyJZRWCGZRTZMZEH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1c(c(cnc1C)C[n+]2c(c(sc2)CCO)C)N
CACTVS 3.341Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
OpenEye OEToolkits 1.5.0Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO
FormulaC12 H17 N4 O S
Name3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM;
THIAMIN;
VITAMIN B1
ChEMBLCHEMBL1547
DrugBankDB00152
ZINCZINC000000049153
PDB chain2lh8 Chain A Residue 1 [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]
PDB2lh8 The prion protein binds thiamine.
ResolutionN/A
Binding residue
(original residue number in PDB)		M48 M49 H50 D57 Y60
Binding residue
(residue number reindexed from 1)		M14 M15 H16 D23 Y26
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=4.18,Kd=65.36uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0051260 protein homooligomerization
Cellular Component
GO:0016020 membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2lh8, PDBe:2lh8, PDBj:2lh8
PDBsum2lh8
PubMed21848803
UniProtP04273|PRIO_MESAU Major prion protein (Gene Name=PRNP)

[Back to BioLiP]