NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type subtype subsubtype
516537 2k2g cing 1-original 4 XPLOR/CNS distance general distance simple 

! Restraints for metal ions (zinc)
! from /nmr/data2/data1/powers/MMP13; adjusted for MMP-12 by alignment only, no data
! mam 4/1/2004

! catalytic zinc, ZN1. ligands: H218, H222, H228
assign (segid MP12 and resid 218 and name cd2) (segid ZN1 and resid 1 and name zn) 3.100 0.100 0.100
assign (segid MP12 and resid 222 and name cd2) (segid ZN1 and resid 1 and name zn) 3.100 0.100 0.100
assign (segid MP12 and resid 228 and name cd2) (segid ZN1 and resid 1 and name zn) 3.100 0.100 0.100
assign (segid MP12 and resid 218 and name ce1) (segid ZN1 and resid 1 and name zn) 3.100 0.100 0.100
assign (segid MP12 and resid 222 and name ce1) (segid ZN1 and resid 1 and name zn) 3.100 0.100 0.100
assign (segid MP12 and resid 228 and name ce1) (segid ZN1 and resid 1 and name zn) 3.100 0.100 0.100
assign (segid MP12 and resid 218 and name ne2) (segid ZN1 and resid 1 and name zn) 2.050 0.150 0.250
assign (segid MP12 and resid 222 and name ne2) (segid ZN1 and resid 1 and name zn) 2.050 0.150 0.250
assign (segid MP12 and resid 228 and name ne2) (segid ZN1 and resid 1 and name zn) 2.050 0.150 0.250
assign (segid  DSV and resid   1 and name o40) (segid ZN1 and resid 1 and name zn) 2.050 0.150 0.250 ! added, zinc to compound

! structural zinc, ZN2. ligands: H168, D170, H183, H196
assign (segid MP12 and resid 168 and name ne2) (segid ZN2 and resid 1 and name zn) 2.050 0.150 0.250
assign (segid MP12 and resid 168 and name cd2) (segid ZN2 and resid 1 and name zn) 3.100 0.100 0.100
assign (segid MP12 and resid 168 and name ce1) (segid ZN2 and resid 1 and name zn) 3.100 0.100 0.100
assign (segid MP12 and resid 183 and name cd2) (segid ZN2 and resid 1 and name zn) 3.100 0.100 0.100
assign (segid MP12 and resid 183 and name ce1) (segid ZN2 and resid 1 and name zn) 3.100 0.100 0.100
assign (segid MP12 and resid 183 and name ne2) (segid ZN2 and resid 1 and name zn) 2.050 0.150 0.250
assign (segid MP12 and resid 196 and name nd1) (segid ZN2 and resid 1 and name zn) 2.050 0.150 0.250
assign (segid MP12 and resid 196 and name ce1) (segid ZN2 and resid 1 and name zn) 3.100 0.100 0.100

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