NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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515552 |
1lud   |
5396 | cing | 1-original | 4 | XPLOR/CNS | distance | hydrogen bond | ambi |
! turns assign (resid 8 and name hn ) (resid 12 and name o ) 2.40 0.80 0.50 assign (resid 8 and name n ) (resid 12 and name o ) 3.40 0.70 0.50 assign (resid 9 and name hn ) ((resid 118 and name o ) or (resid 120 and name o )) 2.40 0.80 0.50 assign (resid 9 and name n ) ((resid 118 and name o ) or (resid 120 and name o )) 3.40 0.70 0.50 assign (resid 11 and name hn ) (resid 8 and name o ) 2.40 0.80 0.50 assign (resid 11 and name n ) (resid 8 and name o ) 3.40 0.70 0.50 assign (resid 12 and name hn ) (resid 8 and name od*) 2.40 0.80 0.50 assign (resid 12 and name n ) (resid 8 and name od*) 3.40 0.70 0.50 assign (resid 13 and name hn ) (resid 126 and name o ) 2.40 0.80 0.50 assign (resid 13 and name n ) (resid 126 and name o ) 3.40 0.70 0.50 assign (resid 14 and name hn ) (resid 126 and name o ) 2.40 0.80 0.50 assign (resid 14 and name n ) (resid 126 and name o ) 3.40 0.70 0.50 assign (resid 15 and name hn ) (resid 18 and name o ) 2.40 0.80 0.50 assign (resid 15 and name n ) (resid 18 and name o ) 3.40 0.70 0.50 assign (resid 34 and name hn ) ((resid 31 and name o ) or (resid 32 and name o )) 2.40 0.80 0.50 assign (resid 34 and name n ) ((resid 31 and name o ) or (resid 32 and name o )) 3.40 0.70 0.50 assign (resid 35 and name hn ) ((resid 31 and name o ) or (resid 32 and name o )) 2.40 0.80 0.50 assign (resid 35 and name n ) ((resid 31 and name o ) or (resid 32 and name o )) 3.40 0.70 0.50 assign (resid 37 and name hn ) (resid 34 and name o ) 2.40 0.80 0.50 assign (resid 37 and name n ) (resid 34 and name o ) 3.40 0.70 0.50 assign (resid 57 and name hn ) (resid 54 and name o ) 2.50 0.80 0.50 assign (resid 57 and name n ) (resid 54 and name o ) 3.50 0.70 0.50 assign (resid 73 and name hn ) (resid 70 and name o ) 2.40 0.80 0.50 assign (resid 73 and name n ) (resid 70 and name o ) 3.40 0.70 0.50 assign (resid 92 and name hn ) (resid 89 and name o ) 2.40 0.80 0.50 assign (resid 92 and name n ) (resid 89 and name o ) 3.40 0.70 0.50 assign (resid 98 and name hn ) (resid 40 and name o ) 2.40 0.80 0.50 assign (resid 98 and name n ) (resid 40 and name o ) 3.40 0.70 0.50 assign (resid 128 and name hn ) (resid 11 and name o ) 2.40 0.80 0.50 assign (resid 128 and name n ) (resid 11 and name o ) 3.40 0.70 0.50 assign (resid 133 and name hn ) (resid 131 and name o ) 2.40 0.80 0.50 assign (resid 133 and name n ) (resid 131 and name o ) 3.40 0.70 0.50 assign (resid 135 and name hn ) (resid 132 and name o ) 2.40 0.80 0.50 assign (resid 135 and name n ) (resid 132 and name o ) 3.40 0.70 0.50 assign (resid 136 and name hn ) (resid 132 and name o ) 2.40 0.80 0.50 assign (resid 136 and name n ) (resid 132 and name o ) 3.40 0.70 0.50 assign (resid 140 and name hn ) (resid 157 and name o ) 2.40 0.80 0.50 assign (resid 140 and name n ) (resid 157 and name o ) 3.40 0.70 0.50 assign (resid 151 and name hn ) (resid 148 and name o ) 2.40 0.80 0.50 assign (resid 151 and name n ) (resid 148 and name o ) 3.40 0.70 0.50 assign (resid 152 and name hn ) (resid 149 and name o ) 2.40 0.80 0.50 assign (resid 152 and name n ) (resid 149 and name o ) 3.40 0.70 0.50 ! assign (resid 34 and name hg1) (resid 30 and name o ) 2.40 0.80 0.20 assign (resid 34 and name og1) (resid 30 and name o ) 3.40 0.70 0.20 assign (resid 116 and name hg1) (resid 26 and name od2) 2.40 0.80 0.20 assign (resid 116 and name og1) (resid 26 and name od2) 3.40 0.70 0.20 ! !Constraints below are included at the very last stage of refinement ! !Constraints for Asp-26 - TMP interaction !Polshakov et al., Theochem - J. Mol. Struct., 357, 207-217(1995) assign (resid 170 and name h1 ) (resid 26 and name od1 ) 2.00 0.20 0.20 assign (resid 170 and name n1) (resid 26 and name od1 ) 3.00 0.20 0.20 assign (resid 170 and name hn2*) (resid 26 and name od2 ) 2.00 0.20 0.20 assign (resid 170 and name n2 ) (resid 26 and name od2 ) 3.00 0.20 0.20 !Constraints for DHFR - NADPH interaction !Polshakov et al., J. Mol. Struct., 602/603, 257-267(2002) assign (resid 6 and name hn ) (resid 168 and name o7n) 2.40 0.80 0.50 assign (resid 6 and name n ) (resid 168 and name o7n) 3.40 0.70 0.50 !Gargaro et al., Eur. J. Biochem., 238, 435-439(1996) assign (resid 43 and name hn ) ((resid 62 and name o ) or (resid 168 and name o4'a)) 2.40 0.80 0.50 assign (resid 43 and name n ) ((resid 62 and name o ) or (resid 168 and name o4'a)) 3.40 0.70 0.50 assign (resid 43 and name he ) (resid 168 and name op#a) 2.00 0.20 0.20 assign (resid 43 and name ne ) (resid 168 and name op#a) 3.00 0.20 0.20 assign (resid 43 and name hh11) (resid 168 and name op#a) 2.00 0.20 0.20 assign (resid 43 and name nh1 ) (resid 168 and name op#a) 3.00 0.20 0.20 ! H-bonds detected on comparison between complexes with/without NADPH assign (resid 45 and name hn ) (resid 168 and name o#a) 2.40 0.80 0.50 assign (resid 45 and name n ) (resid 168 and name o#a) 3.40 0.70 0.50 assign (resid 63 and name hg1) (resid 168 and name op#a) 2.40 0.80 0.20 assign (resid 63 and name og1) (resid 168 and name op#a) 3.40 0.70 0.20 assign (resid 65 and name he2#) (resid 168 and name op#a) 2.40 0.80 0.20 assign (resid 65 and name ne2) (resid 168 and name op#a) 3.40 0.70 0.20
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