mm:parameters:zinc:hdc_czl
Differences
This shows you the differences between two versions of the page.
|
mm:parameters:zinc:hdc_czl [2013/08/05 15:20] joaocoimbra |
mm:parameters:zinc:hdc_czl [2013/10/03 18:59] (current) joaocoimbra |
||
|---|---|---|---|
| Line 1: | Line 1: | ||
| ====== Zinc (II) - HDC[CZL] ====== | ====== Zinc (II) - HDC[CZL] ====== | ||
| + | ### | ||
| The metal center of Farnesyltransferase for the product complex is hereby presented, in which the Zinc atom is bonded to 1 histidine, 1 cysteine, 1 aspartate (monodentate), and to the product (CZL). | The metal center of Farnesyltransferase for the product complex is hereby presented, in which the Zinc atom is bonded to 1 histidine, 1 cysteine, 1 aspartate (monodentate), and to the product (CZL). | ||
| + | ### | ||
| - | | **Coordination Sphere** | **Oxidation state:** Zn(II) \\ **Spin multiplicity:** 1 | | + | | **COORDINATION SPHERE** || |
| - | | {{ :mm:parameters:zinc:set3.png?200 |}} | JMOL | | + | | {{ :mm:parameters:zinc:set3.png?120 |}} | \\ **Oxidation state:** Zn(II) \\ **Spin multiplicity:** 1 | |
| Line 104: | Line 105: | ||
| | //Parameter File// | {{:mm:parameters:zinc:hdcx_Zn-II.frcmod.zip| .frcmod}} | | | //Parameter File// | {{:mm:parameters:zinc:hdcx_Zn-II.frcmod.zip| .frcmod}} | | ||
| | //Coordination Sphere Charges// | {{:mm:parameters:zinc:lib_files_3.zip| .lib}} | | | //Coordination Sphere Charges// | {{:mm:parameters:zinc:lib_files_3.zip| .lib}} | | ||
| - | | //Additional Charges// | {{:mm:parameters:zinc:AC.zip| .lib}} | | + | | //Additional Charges// | {{:mm:parameters:zinc:far_prk.zip| .lib}} | |
| | //FTase PDB File (1KZP.pdb)\\ LEAPRC file// | {{:mm:parameters:zinc:leaprc.zip| leaprc}} | | | //FTase PDB File (1KZP.pdb)\\ LEAPRC file// | {{:mm:parameters:zinc:leaprc.zip| leaprc}} | | ||
| - | |||
| ===== References ===== | ===== References ===== | ||
| + | ### | ||
| Sousa, S.F.; Fernandes, P.A.; Ramos, M.J.. [[http://link.springer.com/article/10.1007%2Fs00214-006-0170-9 | Effective tailor-made force field parameterization of the several Zn coordination environments in the puzzling FTase enzyme: opening the door to the full understanding of its elusive catalytic mechanism]] . //Theoretical Chemistry Accounts//, **2007**, 117, 171-181 | Sousa, S.F.; Fernandes, P.A.; Ramos, M.J.. [[http://link.springer.com/article/10.1007%2Fs00214-006-0170-9 | Effective tailor-made force field parameterization of the several Zn coordination environments in the puzzling FTase enzyme: opening the door to the full understanding of its elusive catalytic mechanism]] . //Theoretical Chemistry Accounts//, **2007**, 117, 171-181 | ||
| + | ### | ||
mm/parameters/zinc/hdc_czl.1375712413.txt.gz · Last modified: 2013/08/05 15:20 by joaocoimbra
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Share Alike 3.0 Unported
