NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
12956 | 1tum | cing | 1-original | 3 | XPLOR/CNS | distance | general distance | simple |
!*************** second metal (enzyme bound)****************** !by Co2+ and Mn2+ titrations assign (resid 131 and name mg ) (resid 57 and name oe2 ) 2.0 0.0 0.4 assign (resid 131 and name mg ) (resid 56 and name oe1 ) 2.0 0.0 0.4 assign (resid 131 and name mg ) (resid 98 and name oe2 ) 2.0 0.0 0.4 assign (resid 131 and name mg ) (resid 38 and name o ) 2.0 0.0 0.4 assign (resid 131 and name mg ) (resid 38 and name nh ) 3.5 0.0 2.5 assign (resid 131 and name mg ) (resid 39 and name nh ) 3.5 0.0 2.5 !by paramagnetic effects on 31P T1 assign (resid 131 and name mg ) (resid 130 and name p ) 3.8 0.0 4.2 assign (resid 131 and name mg ) (resid 130 and name p2 ) 3.1 0.0 3.5 assign (resid 131 and name mg ) (resid 130 and name p3 ) 3.0 0.0 3.3 !these distances are to keep octahedral geometry of Mg2+ assign (resid 57 and name oe2 ) (resid 56 and name oe1 ) 3.0 0.0 1.5 assign (resid 57 and name oe2 ) (resid 98 and name oe2 ) 3.0 0.0 1.5 assign (resid 57 and name oe2 ) (resid 38 and name o ) 3.0 0.0 1.5 assign (resid 57 and name oe2 ) (resid 131 and name o1 ) 3.0 0.0 1.5 assign (resid 57 and name oe2 ) (resid 131 and name o2 ) 3.0 0.0 1.5 assign (resid 56 and name oe1 ) (resid 98 and name oe2 ) 3.0 0.0 1.5 assign (resid 56 and name oe1 ) (resid 38 and name o ) 3.0 0.0 1.5 assign (resid 56 and name oe1 ) (resid 131 and name o1 ) 3.0 0.0 1.5 assign (resid 56 and name oe1 ) (resid 131 and name o2 ) 3.0 0.0 0.8 assign (resid 98 and name oe2 ) (resid 38 and name o ) 3.0 0.0 1.5 assign (resid 98 and name oe2 ) (resid 131 and name o1 ) 3.0 0.0 1.5 assign (resid 98 and name oe2 ) (resid 131 and name o2 ) 3.0 0.0 1.5
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