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
617619 5uzz 30258 cing 1-original 4 XPLOR/CNS distance hydrogen bond simple 

# Restraints file 2: miR21_hb_lower.tbl
!  pre-miR21 RNA base-pair H-Bond restraints.
!
!     ******** strong base-pairs in the lower-stem
!
! G22 - C52
assign (residue 22 and name N1) (residue 52 and name N3) 2.87 0.2 0.2
assign (residue 22 and name H1) (residue 52 and name N3) 1.86 0.2 0.2
assign (residue 22 and name O6) (residue 52 and name N4) 2.81 0.2 0.2
assign (residue 22 and name N2) (residue 52 and name O2) 2.81 0.2 0.2
assign (residue 22 and name N2) (residue 52 and name N3) 3.58 0.2 0.2
assign (residue 22 and name O6) (residue 52 and name N3) 3.63 0.2 0.2

! G23 - C51
assign (residue 23 and name N1) (residue 51 and name N3) 2.87 0.2 0.2
assign (residue 23 and name H1) (residue 51 and name N3) 1.86 0.2 0.2
assign (residue 23 and name O6) (residue 51 and name N4) 2.81 0.2 0.2
assign (residue 23 and name N2) (residue 51 and name O2) 2.81 0.2 0.2
assign (residue 23 and name N2) (residue 51 and name N3) 3.58 0.2 0.2
assign (residue 23 and name O6) (residue 51 and name N3) 3.63 0.2 0.2

! U24 - A50
assign (residue 24 and name N3) (residue 50 and name N1) 2.73 0.2 0.2
assign (residue 24 and name O4) (residue 50 and name N6) 2.92 0.2 0.2
assign (residue 24 and name H3) (residue 50 and name N1) 1.73 0.2 0.2

! G25 - C49
assign (residue 25 and name N1) (residue 49 and name N3) 2.87 0.2 0.2
assign (residue 25 and name H1) (residue 49 and name N3) 1.86 0.2 0.2
assign (residue 25 and name O6) (residue 49 and name N4) 2.81 0.2 0.2
assign (residue 25 and name N2) (residue 49 and name O2) 2.81 0.2 0.2
assign (residue 25 and name N2) (residue 49 and name N3) 3.58 0.2 0.2
assign (residue 25 and name O6) (residue 49 and name N3) 3.63 0.2 0.2

! U26 - A48
assign (residue 26 and name N3) (residue 48 and name N1) 2.73 0.2 0.2
assign (residue 26 and name O4) (residue 48 and name N6) 2.92 0.2 0.2
assign (residue 26 and name H3) (residue 48 and name N1) 1.73 0.2 0.2

! U27 - A47
assign (residue 27 and name N3) (residue 47 and name N1) 2.73 0.2 0.2
assign (residue 27 and name O4) (residue 47 and name N6) 2.92 0.2 0.2
assign (residue 27 and name H3) (residue 47 and name N1) 1.73 0.2 0.2

! G28 - C46
assign (residue 28 and name n1) (residue 46 and name n3) 2.87 0.2 0.2
assign (residue 28 and name h1) (residue 46 and name n3) 1.86 0.2 0.2
assign (residue 28 and name o6) (residue 46 and name n4) 2.81 0.2 0.2
assign (residue 28 and name n2) (residue 46 and name o2) 2.81 0.2 0.2
assign (residue 28 and name n2) (residue 46 and name n3) 3.58 0.2 0.2
assign (residue 28 and name o6) (residue 46 and name n3) 3.63 0.2 0.2

! A29

!!!NOTE: The upper stem of miR21 appears to remain open with no base pairing based
!!! on both low temp water NOESY and 15N HSQC data. 

! C30 - G45
!assign (residue 30 and name N3) (residue 45 and name N1) 2.87 0.2 0.2
!assign (residue 30 and name N3) (residue 45 and name N1) 1.86 0.2 0.2
!assign (residue 30 and name N4) (residue 45 and name O6) 2.81 0.2 0.2
!assign (residue 30 and name h41) (residue 45 and name O6) 1.86 0.2 0.2
!assign (residue 30 and name O2) (residue 45 and name N2) 2.81 0.2 0.2
!assign (residue 30 and name o2) (residue 45 and name h21) 1.86 0.2 0.2

! U31 - G44
!assign (residue 31 and name H3) (residue 44 and name O6)  1.9 0.1 0.30
!assign (residue 31 and name N3) (residue 44 and name O6)  3.0 0.28 0.08
!assign (residue 31 and name O2) (residue 44 and name H1)  1.9 0.1 0.30
!assign (residue 31 and name O2) (residue 44 and name N1)  3.0 0.28 0.08

! G32 - U43
!assign (residue 32 and name O6) (residue 43 and name H3)  1.9 0.1 0.30
!assign (residue 32 and name O6) (residue 43 and name N3)  3.0 0.28 0.08
!assign (residue 32 and name H1) (residue 43 and name O2)  1.9 0.1 0.30
!assign (residue 32 and name N1) (residue 43 and name O2)  3.0 0.28 0.08

! U33 - A42
!assign (residue 33 and name N3) (residue 42 and name N1) 2.73 0.2 0.2
!assign (residue 33 and name O4) (residue 42 and name N6) 2.92 0.2 0.2
!assign (residue 33 and name H3) (residue 42 and name N1) 1.73 0.2 0.2
!assign (residue 33 and name O4) (residue 42 and name H61) 1.73 0.2 0.2

! U34

! G35 - C41
!assign (residue 14 and name n1) (residue 20 and name n3) 2.87 .2 .2
!assign (residue 14 and name h1) (residue 20 and name n3) 1.86 0.2 0.2
!assign (residue 14 and name o6) (residue 20 and name n4) 2.81 .2 .2
!assign (residue 14 and name n2) (residue 20 and name o2) 2.81 .2 .2
!assign (residue 14 and name n2) (residue 20 and name n3) 3.58 0.2 0.2
!assign (residue 14 and name o6) (residue 20 and name n3) 3.63 0.2 0.2

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

Contact the webmaster for help, if required. Wednesday, May 15, 2024 6:37:34 PM GMT (wattos1)