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

21150 2h5m 5845 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


REMARKS restraint to anchor ACO acetyl C=O to T41NH
assign(resid 41   and name HN    )(resid 1 and segid B and name O ) 1.8 0.0 0.6
assign(resid 41   and name N     )(resid 1 and segid B and name O ) 2.6 0.0 0.9

REMARKS restraint to anchor ACO pantothenyl 9 C=O to V43 NH
assign(resid 43   and name HN    )(resid 1 and segid B and name PO9 ) 1.8 0.0 0.6
assign(resid 43   and name N     )(resid 1 and segid B and name PO9 ) 2.6 0.0 0.9

REMARKS restraint to anchor ACO pantothenyl 4 NH to T41 C=O
assign(resid 41   and name O     )(resid 1 and segid B and name HN4 ) 1.8 0.0 0.6
assign(resid 41   and name O     )(resid 1 and segid B and name N   ) 2.6 0.0 0.9


remarks   H-bond constraints (slow exchangers only)
assign (resid   14 and  name O    )(resid    7 and  name HN   ) 1.8 0.0 0.6
assign (resid   14 and  name O    )(resid    7 and  name N    ) 2.6 0.0 0.9
assign (resid    9 and  name O    )(resid   12 and  name HN   ) 1.8 0.0 0.6
assign (resid    9 and  name O    )(resid   12 and  name N    ) 2.6 0.0 0.9
assign (resid   26 and  name O    )(resid   13 and  name HN   ) 1.8 0.0 0.6
assign (resid   26 and  name O    )(resid   13 and  name N    ) 2.6 0.0 0.9
assign (resid    7 and  name O    )(resid   14 and  name HN   ) 1.8 0.0 0.6
assign (resid    7 and  name O    )(resid   14 and  name N    ) 2.6 0.0 0.9
assign (resid   24 and  name O    )(resid   15 and  name HN   ) 1.8 0.0 0.6
assign (resid   24 and  name O    )(resid   15 and  name N    ) 2.6 0.0 0.9
assign (resid   15 and  name O    )(resid   24 and  name HN   ) 1.8 0.0 0.6
assign (resid   15 and  name O    )(resid   24 and  name N    ) 2.6 0.0 0.9
assign (resid   42 and  name O    )(resid   25 and  name HN   ) 1.8 0.0 0.6
assign (resid   42 and  name O    )(resid   25 and  name N    ) 2.6 0.0 0.9
assign (resid   13 and  name O    )(resid   26 and  name HN   ) 1.8 0.0 0.6
assign (resid   13 and  name O    )(resid   26 and  name N    ) 2.6 0.0 0.9
assign (resid   40 and  name O    )(resid   27 and  name HN   ) 1.8 0.0 0.6
assign (resid   40 and  name O    )(resid   27 and  name N    ) 2.6 0.0 0.9
assign (resid   11 and  name O    )(resid   28 and  name HN   ) 1.8 0.0 0.6
assign (resid   11 and  name O    )(resid   28 and  name N    ) 2.6 0.0 0.9
assign (resid   37 and  name O    )(resid   29 and  name HN   ) 1.8 0.0 0.6
assign (resid   37 and  name O    )(resid   29 and  name N    ) 2.6 0.0 0.9
assign (resid   35 and  name O    )(resid   31 and  name HN   ) 1.8 0.0 0.6
assign (resid   35 and  name O    )(resid   31 and  name N    ) 2.6 0.0 0.9
assign (resid   70 and  name O    )(resid   36 and  name HN   ) 1.8 0.0 0.6
assign (resid   70 and  name O    )(resid   36 and  name N    ) 2.6 0.0 0.9
assign (resid   29 and  name O    )(resid   37 and  name HN   ) 1.8 0.0 0.6
assign (resid   29 and  name O    )(resid   37 and  name N    ) 2.6 0.0 0.9
assign (resid   72 and  name O    )(resid   38 and  name HN   ) 1.8 0.0 0.6
assign (resid   72 and  name O    )(resid   38 and  name N    ) 2.6 0.0 0.9
assign (resid   52 and  name O    )(resid   56 and  name HN   ) 1.8 0.0 0.6
assign (resid   52 and  name O    )(resid   56 and  name N    ) 2.6 0.0 0.9
assign (resid   53 and  name O    )(resid   57 and  name HN   ) 1.8 0.0 0.6
assign (resid   53 and  name O    )(resid   57 and  name N    ) 2.6 0.0 0.9
assign (resid   54 and  name O    )(resid   58 and  name HN   ) 1.8 0.0 0.6
assign (resid   54 and  name O    )(resid   58 and  name N    ) 2.6 0.0 0.9
assign (resid   55 and  name O    )(resid   59 and  name HN   ) 1.8 0.0 0.6
assign (resid   55 and  name O    )(resid   59 and  name N    ) 2.6 0.0 0.9
assign (resid   56 and  name O    )(resid   60 and  name HN   ) 1.8 0.0 0.6
assign (resid   56 and  name O    )(resid   60 and  name N    ) 2.6 0.0 0.9
assign (resid   57 and  name O    )(resid   61 and  name HN   ) 1.8 0.0 0.6
assign (resid   57 and  name O    )(resid   61 and  name N    ) 2.6 0.0 0.9
assign (resid   58 and  name O    )(resid   62 and  name HN   ) 1.8 0.0 0.6
assign (resid   58 and  name O    )(resid   62 and  name N    ) 2.6 0.0 0.9
assign (resid   61 and  name O    )(resid   65 and  name HN   ) 1.8 0.0 0.6
assign (resid   61 and  name O    )(resid   65 and  name N    ) 2.6 0.0 0.9
assign (resid   62 and  name O    )(resid   66 and  name HN   ) 1.8 0.0 0.6
assign (resid   62 and  name O    )(resid   66 and  name N    ) 2.6 0.0 0.9
assign (resid   63 and  name O    )(resid   67 and  name HN   ) 1.8 0.0 0.6
assign (resid   63 and  name O    )(resid   67 and  name N    ) 2.6 0.0 0.9
assign (resid   64 and  name O    )(resid   69 and  name HN   ) 1.8 0.0 0.6
assign (resid   64 and  name O    )(resid   69 and  name N    ) 2.6 0.0 0.9
assign (resid   34 and  name O    )(resid   70 and  name HN   ) 1.8 0.0 0.6
assign (resid   34 and  name O    )(resid   70 and  name N    ) 2.6 0.0 0.9
assign (resid   91 and  name O    )(resid   71 and  name HN   ) 1.8 0.0 0.6
assign (resid   91 and  name O    )(resid   71 and  name N    ) 2.6 0.0 0.9
assign (resid   36 and  name O    )(resid   72 and  name HN   ) 1.8 0.0 0.6
assign (resid   36 and  name O    )(resid   72 and  name N    ) 2.6 0.0 0.9

Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Saturday, June 29, 2024 10:19:08 PM GMT (wattos1)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	21150	2h5m	5845	cing	1-original	2	XPLOR/CNS	distance	hydrogen bond	simple