NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
26034 |
2ke5   |
cing | 1-original | 2 | XPLOR/CNS | distance | hydrogen bond | simple |
!Thr distances assi (resi 28 and name OG ) (resi 500 and name MG ) 2.30 0.10 0.10 !!assi (resi 46 and name OG1 ) (resi 500 and name MG ) 2.30 0.10 0.10 !GMP distances assi (resi 500 and name O2B ) (resi 500 and name MG ) 2.30 0.10 0.10 assi (resi 500 and name O2G ) (resi 500 and name MG ) 2.30 0.10 0.10 !Water distances assi (resi 500 and name OT1 ) (resi 500 and name MG ) 2.30 0.10 0.10 assi (resi 500 and name OT2 ) (resi 500 and name MG ) 2.30 0.10 0.10 !Distances to keep it octahedral assi (resi 28 and name OG ) (resi 500 and name O2G ) 4.60 0.20 0.20 !!assi (resi 46 and name OG1 ) (resi 500 and name O2B ) 4.60 0.20 0.20 assi (resi 500 and name OT1 ) (resi 500 and name OT2 ) 4.60 0.20 0.20 ! OT2 ! | ! S28-O-MG-O2G ! | ! OT1 assi (resi 500 and name OT1 ) (resi 28 and name OG ) 3.25 0.20 0.20 assi (resi 500 and name OT2 ) (resi 28 and name OG ) 3.25 0.20 0.20 assi (resi 500 and name OT1 ) (resi 500 and name O2G ) 3.25 0.20 0.20 assi (resi 500 and name OT2 ) (resi 500 and name O2G ) 3.25 0.20 0.20 ! OT2 ! | ! T46-O-MG-O2B ! | ! OT1 !!assi (resi 500 and name OT1 ) (resi 46 and name OG1 ) 3.25 0.20 0.20 !!assi (resi 500 and name OT2 ) (resi 46 and name OG1 ) 3.25 0.20 0.20 assi (resi 500 and name OT1 ) (resi 500 and name O2B ) 3.25 0.20 0.20 assi (resi 500 and name OT2 ) (resi 500 and name O2B ) 3.25 0.20 0.20 ! O2G ! | ! T46-O-MG-O2B ! | ! O-S28 !!assi (resi 46 and name OG1 ) (resi 28 and name OG ) 3.25 0.20 0.20 assi (resi 500 and name O2B ) (resi 28 and name OG ) 3.25 0.20 0.20 !!assi (resi 46 and name OG1 ) (resi 500 and name O2G ) 3.25 0.20 0.20 assi (resi 500 and name O2B ) (resi 500 and name O2G ) 3.25 0.20 0.20 ! ! more distances from Ral Xal structure (1ZC3) to keep nucleotide in the right place ! but only 46 and 71 used to O2G and O3G resp. average dist. from Ras 1CTQ, IZC3 ! and 1UAD RalA Xtal structures ! RasMol> select hetero and not water ! RasMol> restrict within(3.5,selected) ! !assi (resi 24 and name N ) (resid 500 and name O3A ) 3.92 0.30 0.30 !assi (resi 24 and name N ) (resid 500 and name O1G ) 3.99 0.30 0.30 !assi (resi 25 and name N ) (resid 500 and name O1B ) 3.36 0.30 0.30 !assi (resi 26 and name N ) (resid 500 and name O1B ) 3.03 0.30 0.30 !assi (resi 27 and name N ) (resid 500 and name O1B ) 2.92 0.30 0.30 !assi (resi 27 and name NZ ) (resid 500 and name O3G ) 2.67 0.30 0.30 !assi (resi 27 and name NZ ) (resid 500 and name O1B ) 2.80 0.30 0.30 !assi (resi 28 and name N ) (resid 500 and name O2B ) 2.95 0.30 0.30 !assi (resi 28 and name N ) (resid 500 and name O1A ) 3.35 0.30 0.30 !assi (resi 29 and name N ) (resid 500 and name O1A ) 2.80 0.30 0.30 !!assi (resi 43 and name N ) (resid 500 and name O3' ) 3.42 0.30 0.30 !!assi (resi 46 and name N ) (resid 500 and name O2G ) 3.07 0.30 0.30 !!assi (resi 46 and name N ) (resid 500 and name O1G ) 4.09 0.30 0.30 assi (resi 71 and name N ) (resid 500 and name O3G ) 2.91 0.30 0.30 !assi (resi 128 and name OD1 ) (resid 500 and name N7 ) 3.00 0.30 0.30 !assi (resi 128 and name ND2 ) (resid 500 and name O6 ) 3.28 0.30 0.30 !assi (resi 129 and name N ) (resid 500 and name O6 ) 3.32 0.30 0.30 !assi (resi 129 and name NZ ) (resid 500 and name O4' ) 3.33 0.30 0.30 !assi (resi 131 and name OD* ) (resid 500 and name N1 ) 2.78 0.30 0.30 !assi (resi 131 and name OD* ) (resid 500 and name N2 ) 2.79 0.30 0.30 !assi (resi 159 and name N ) (resid 500 and name O6 ) 2.93 0.30 0.30
Contact the webmaster for help, if required. Thursday, July 4, 2024 12:23:57 AM GMT (wattos1)