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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564791 |
2ma6   |
19329 | cing | 1-original | 4 | XPLOR/CNS | distance | general distance | simple |
# Zn upl restraints used in Cyana # after CNS water refinement in fmcGui, these aren't used #----------------------------------------------------------------- # from ASDP TAF3 example # limit restraints: #----------------------------------------------------------------- # ZN Ligands #----------------------------------------------------------------- 11 CYSZ ZN 14 CYS- SG 2.40 10.00E+00 11 CYSZ ZN 31 CYS- SG 2.40 10.00E+00 11 CYSZ ZN 34 CYS- SG 2.40 10.00E+00 11 CYSZ ZN 14 CYS- CB 3.70 10.00E+00 11 CYSZ ZN 31 CYS- CB 3.70 10.00E+00 11 CYSZ ZN 34 CYS- CB 3.70 10.00E+00 #----------------------------------------------------------------- # ZN Geometry #----------------------------------------------------------------- 11 CYSZ SG 14 CYS- SG 3.95 10.00E+00 11 CYSZ SG 31 CYS- SG 3.95 10.00E+00 11 CYSZ SG 34 CYS- SG 3.95 10.00E+00 14 CYS- SG 34 CYS- SG 3.95 10.00E+00 14 CYS- SG 31 CYS- SG 3.95 10.00E+00 34 CYS- SG 31 CYS- SG 3.95 10.00E+00 #----------------------------------------------------------------- #----------------------------------------------------------------- # All from ASDP example #Upper limit restraints: #----------------------------------------------------------------- # ZN Ligands #----------------------------------------------------------------- 26 CYSZ ZN 28 HIS ND1 2.3 10.00E+00 26 CYSZ ZN 48 CYS- SG 2.4 10.00E+00 26 CYSZ ZN 45 CYS- SG 2.4 10.00E+00 26 CYSZ ZN 48 CYS- CB 3.7 10.00E+00 26 CYSZ ZN 45 CYS- CB 3.7 10.00E+00 #----------------------------------------------------------------- # ZN Geometry #----------------------------------------------------------------- 26 CYSZ SG 28 HIS ND1 3.95 10.00E+00 26 CYSZ SG 48 CYS- SG 3.95 10.00E+00 26 CYSZ SG 45 CYS- SG 3.95 10.00E+00 28 HIS ND1 45 CYS- SG 3.95 10.00E+00 28 HIS ND1 48 CYS- SG 3.95 10.00E+00 45 CYS- SG 48 CYS- SG 3.95 10.00E+00 #----------------------------------------------------------------- # Zn lol restraints used in Cyana # During CNS water refinement via fmcGui, these aren't used #----------------------------------------------------------------- # from ASDP TAF3 example #Lower limit restraints: #----------------------------------------------------------------- # ZN Ligands #----------------------------------------------------------------- #AS 11 CYSZ ZN 14 CYS- SG 2.2 10.00E+00 11 CYSZ ZN 14 CYS- SG 2.25 10.00E+00 11 CYSZ ZN 31 CYS- SG 2.25 10.00E+00 11 CYSZ ZN 34 CYS- SG 2.25 10.00E+00 11 CYSZ ZN 14 CYS- CB 3.5 10.00E+00 11 CYSZ ZN 31 CYS- CB 3.5 10.00E+00 11 CYSZ ZN 34 CYS- CB 3.5 10.00E+00 #----------------------------------------------------------------- # ZN Geometry #----------------------------------------------------------------- #AS 11 CYSZ SG 14 CYS- SG 3.55 10.00E+00 11 CYSZ SG 14 CYS- SG 3.7 10.00E+00 11 CYSZ SG 31 CYS- SG 3.7 10.00E+00 11 CYSZ SG 34 CYS- SG 3.7 10.00E+00 14 CYS- SG 34 CYS- SG 3.7 10.00E+00 14 CYS- SG 31 CYS- SG 3.7 10.00E+00 34 CYS- SG 31 CYS- SG 3.7 10.00E+00 #----------------------------------------------------------------- #----------------------------------------------------------------- #Upper limit restraints: #----------------------------------------------------------------- # ZN Ligands #----------------------------------------------------------------- #AS 26 CYSZ ZN 48 CYS- SG 2.20 10.00E+00 26 CYSZ ZN 28 HIS ND1 1.85 10.00E+00 26 CYSZ ZN 48 CYS- SG 2.2 10.00E+00 26 CYSZ ZN 45 CYS- SG 2.2 10.00E+00 26 CYSZ ZN 48 CYS- CB 3.5 10.00E+00 26 CYSZ ZN 45 CYS- CB 3.5 10.00E+00 #----------------------------------------------------------------- # ZN Geometry #----------------------------------------------------------------- 26 CYSZ SG 28 HIS ND1 3.55 10.00E+00 26 CYSZ SG 48 CYS- SG 3.7 10.00E+00 26 CYSZ SG 45 CYS- SG 3.7 10.00E+00 28 HIS ND1 45 CYS- SG 3.55 10.00E+00 28 HIS ND1 48 CYS- SG 3.55 10.00E+00 45 CYS- SG 48 CYS- SG 3.7 10.00E+00 #-----------------------------------------------------------------
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