Pub. Date : 2015 Dec 5
PMID : 26494532
3 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | The SMD simulations showed that the active pyridinium ring of K048 is directed towards the phosphorus atom conjugated to the active serine (SUN203) of tabun-mAChE(wild-type). | Serine | acetylcholinesterase | Mus musculus |
| 2 | Such displacement is causing the inaccessibility of the drug towards the phosphorus atom conjugated to the active serine (SUN203) of tabun-mutant mAChE(Y337A). | Serine | acetylcholinesterase | Mus musculus |
| 3 | Furthermore, the unbinding of the K048 with SMD studies showed that the active pyridinium ring of the drug undergoes a complete turn along the gorge axis and is directed away from the phosphorus atom conjugated to the active serine of the tabun-mutant mAChE(Y337A). | Serine | acetylcholinesterase | Mus musculus |