NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
515735 1xyd 5895 cing 1-original 4 XPLOR/CNS distance general distance simple 

   
!calcium restraints

assign (resid 1 and name mca and segid="cap1") (resid 18 and name o and segid="sbt1") 2.4 0.4 0.4
assign (resid 1 and name mca and segid="cap2") (resid 18 and name o and segid="sbt2") 2.4 0.4 0.4

assign (resid 1 and name mca and segid="cap1") 
((resid 21 and name o and segid="sbt1") or (resid 23 and name o and segid="sbt1")) 2.4 0.4 0.4
assign (resid 1 and name mca and segid="cap2") 
((resid 21 and name o and segid="sbt2") or (resid 23 and name o and segid="sbt2")) 2.4 0.4 0.4

assign (resid 1 and name mca and segid="cap1") (resid 26 and name o and segid="sbt1") 2.4 0.4 0.4
assign (resid 1 and name mca and segid="cap2") (resid 26 and name o and segid="sbt2") 2.4 0.4 0.4

assign (resid 1 and name mca and segid="cap1") (resid 31 and name oe# and segid="sbt1") 2.4 0.4 0.4
assign (resid 1 and name mca and segid="cap2") (resid 31 and name oe# and segid="sbt2") 2.4 0.4 0.4

assign (resid 1 and name mca and segid="cat1") (resid 61 and name od# and segid="sbt1") 2.4 0.4 0.4
assign (resid 1 and name mca and segid="cat2") (resid 61 and name od# and segid="sbt2") 2.4 0.4 0.4

assign (resid 1 and name mca and segid="cat1") (resid 63 and name od# and segid="sbt1") 2.4 0.4 0.4
assign (resid 1 and name mca and segid="cat2") (resid 63 and name od# and segid="sbt2") 2.4 0.4 0.4

assign (resid 1 and name mca and segid="cat1") (resid 65 and name od# and segid="sbt1") 2.4 0.4 0.4
assign (resid 1 and name mca and segid="cat2") (resid 65 and name od# and segid="sbt2") 2.4 0.4 0.4

assign (resid 1 and name mca and segid="cat1") (resid 67 and name o and segid="sbt1") 2.4 0.4 0.4
assign (resid 1 and name mca and segid="cat2") (resid 67 and name o and segid="sbt2") 2.4 0.4 0.4

assign (resid 1 and name mca and segid="cat1") (resid 72 and name oe1 and segid="sbt1") 2.4 0.4 0.4
assign (resid 1 and name mca and segid="cat2") (resid 72 and name oe1 and segid="sbt2") 2.4 0.4 0.4

assign (resid 1 and name mca and segid="cat1") (resid 72 and name oe2 and segid="sbt1") 2.4 0.4 0.4
assign (resid 1 and name mca and segid="cat2") (resid 72 and name oe2 and segid="sbt2") 2.4 0.4 0.4


!zinc restraints

assign (resid 1 and name mzn and segid="zin1") (resid 15 and name ne2 and segid="sbt1") 2.0 0 0
assign (resid 1 and name mzn and segid="zin2") (resid 15 and name ne2 and segid="sbt2") 2.0 0 0

assign (resid 1 and name mzn and segid="zin1") (resid 25 and name nd1 and segid="sbt1") 2.0 0 0
assign (resid 1 and name mzn and segid="zin2") (resid 25 and name nd1 and segid="sbt2") 2.0 0 0

assign (resid 1 and name mzn and segid="zin1") (resid 85 and name ne2 and segid="sbt2") 2.0 0 0
assign (resid 1 and name mzn and segid="zin2") (resid 85 and name ne2 and segid="sbt1") 2.0 0 0

assign (resid 1 and name mzn and segid="zin1") (resid 89 and name oe# and segid="sbt2") 2.04 0 0
assign (resid 1 and name mzn and segid="zin2") (resid 89 and name oe# and segid="sbt1") 2.04 0 0

Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, May 9, 2024 1:44:19 AM GMT (wattos1)