Structure of PDB 4ma7 Chain A Binding Site BS01

Receptor Information
>4ma7 Chain A (length=110) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAVVGGLGGYMLGSAMSRPMIHFGNDWEDRYYRENMYRYPNQVYYRPVDQ
YSNQNNFVHDCVNITIKQHTVTTTTKGENFTETDVKMMERVVEQMCVTQY
QKESQAYYDG
Ligand information
Ligand IDP2Z
InChIInChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
InChIKeyZGUGWUXLJSTTMA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)CCCN1c2ccccc2Sc3ccccc13
ACDLabs 12.01S2c1ccccc1N(c3c2cccc3)CCCN(C)C
OpenEye OEToolkits 1.7.6CN(C)CCCN1c2ccccc2Sc3c1cccc3
FormulaC17 H20 N2 S
NamePromazine;
N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
ChEMBLCHEMBL564
DrugBankDB00420
ZINCZINC000000010402
PDB chain4ma7 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ma7 Structural basis of prion inhibition by phenothiazine compounds.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		L125 Y128 Y162 Q186 V189
Binding residue
(residue number reindexed from 1)		L7 Y10 Y44 Q68 V71
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0051260 protein homooligomerization
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:4ma7, PDBe:4ma7, PDBj:4ma7
PDBsum4ma7
PubMed24373770
UniProtP04925|PRIO_MOUSE Major prion protein (Gene Name=Prnp)

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