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
586056 2mjc 19716 cing 1-original 2 XPLOR/CNS distance general distance simple 

! primary Zn-SG/NE2 data from page 30 of
! http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2941202/#!po=34.6154
! values are mean plus/minus 2 SD
!! Zn -SG/NE2 restraints
assign  (resid 300 and resname ZN2)  (resid 13  and name   SG)  2.33  0.22  0.22
assign  (resid 300 and resname ZN2)  (resid 16  and name   SG)  2.33  0.22  0.22
assign  (resid 300 and resname ZN2)  (resid 25  and name   SG)  2.33  0.22  0.22
assign  (resid 300 and resname ZN2)  (resid 20 and name NE2)    2.13  0.23  0.23
    
! these restraints stolen from JBNMR Santiveri et al, 2013    
!! Zn - CB restraints
assign  (resid 300 and resname ZN2)  (resid 13  and name   CB)  3.55  0.25  0.25
assign  (resid 300 and resname ZN2)  (resid 16  and name   CB)  3.55  0.25  0.25
assign  (resid 300 and resname ZN2)  (resid 25  and name   CB)  3.55  0.25  0.25

!! SG-SG restraints
assign  (resid 16  and name   SG)   (resid 25  and name   SG)  3.90  0.30  0.30
assign  (resid 13  and name   SG)   (resid 16  and name   SG)  3.90  0.30  0.30
assign  (resid 13  and name   SG)   (resid 25  and name   SG)  3.90  0.30  0.30

!! SG-NE2 restraints
assign  (resid 16  and name   SG)   (resid 20  and name  NE2)  3.85  0.35  0.35
assign  (resid 13  and name   SG)   (resid 20  and name  NE2)  3.85  0.35  0.35
assign  (resid 25  and name   SG)   (resid 20  and name  NE2)  3.85  0.35  0.35

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