Magnesium in PDB 1ikk: Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts

The structure of Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts, PDB code: 1ikk was solved by D.R.Mack, T.K.Chiu, R.E.Dickerson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.558, 38.737, 32.508, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.6

The binding sites of Magnesium atom in the Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts (pdb code 1ikk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts, PDB code: 1ikk:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg22 b:9.4 occ:1.00 O A:HOH140 2.0 10.9 1.0 O B:HOH143 2.0 10.6 1.0 O A:HOH144 2.0 12.4 1.0 O B:HOH145 2.0 18.2 1.0 O A:HOH141 2.2 12.6 1.0 O A:HOH142 2.2 14.0 1.0 O A:HOH41 4.1 18.4 1.0 O A:HOH105 4.2 16.1 1.0 O A:HOH40 4.2 14.0 1.0 O2 A:DC2 4.3 7.0 1.0 O A:HOH39 4.3 14.8 1.0 N2 B:DG20 4.4 8.6 1.0 N3 B:DG20 4.4 8.2 1.0 O4' A:DT3 4.5 7.1 1.0 C4' A:DT3 4.5 7.4 1.0 O A:HOH84 4.6 17.2 1.0 N2 B:DG19 4.7 6.5 1.0 C5' A:DT3 4.7 8.1 1.0 C2 B:DG20 4.9 9.3 1.0

Magnesium binding site 2 out of 4 in the Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg23 b:10.7 occ:1.00 O B:HOH149 2.0 10.6 1.0 O B:HOH146 2.0 12.2 1.0 O B:HOH150 2.0 12.0 1.0 O B:HOH151 2.0 15.4 1.0 O A:HOH148 2.2 24.1 1.0 O B:HOH147 2.2 11.1 1.0 O2 B:DC12 4.2 9.4 1.0 O B:HOH112 4.3 24.0 1.0 O A:HOH34 4.3 12.1 1.0 O4' B:DT13 4.3 11.9 1.0 N2 A:DG10 4.4 10.7 1.0 C4' B:DT13 4.4 10.1 1.0 N3 A:DG10 4.4 7.3 1.0 C5' B:DT13 4.7 8.3 1.0 N2 A:DG9 4.7 7.4 1.0 C2 A:DG10 4.9 7.5 1.0

Magnesium binding site 3 out of 4 in the Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg21 b:6.3 occ:1.00 O A:HOH137 2.0 7.3 1.0 O B:HOH134 2.0 7.1 1.0 O A:HOH139 2.0 8.5 1.0 O A:HOH138 2.0 10.5 1.0 O A:HOH135 2.2 8.3 1.0 O B:HOH136 2.2 9.9 1.0 O A:HOH36 4.0 9.9 1.0 O A:HOH30 4.2 8.2 1.0 O A:HOH29 4.2 11.6 1.0 O2 A:DT5 4.2 6.2 1.0 O4' B:DA18 4.3 5.9 1.0 O4' A:DA6 4.4 8.2 1.0 O A:HOH65 4.4 20.6 1.0 N3 B:DA17 4.5 4.7 1.0 C5' A:DA6 4.5 10.0 1.0 C4' A:DA6 4.6 9.1 1.0 C2' B:DA17 4.7 5.4 1.0 C4' B:DA18 4.7 7.2 1.0 C1' B:DA17 5.0 5.5 1.0

Magnesium binding site 4 out of 4 in the Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg24 b:15.8 occ:1.00 O B:HOH152 2.0 16.5 1.0 O B:HOH155 2.0 16.5 1.0 O B:HOH156 2.0 25.3 1.0 O B:HOH157 2.0 14.4 1.0 O B:HOH153 2.2 19.6 1.0 O B:HOH154 2.2 25.3 1.0 O B:HOH107 4.0 11.0 1.0 OP1 B:DT15 4.3 21.2 1.0 O B:HOH71 4.5 16.6 1.0 O A:HOH64 4.6 17.9 1.0

D.R.Mack, T.K.Chiu, R.E.Dickerson. Intrinsic Bending and Deformability at the T-A Step of Cctttaaagg: A Comparative Analysis of T-A and A-T Steps Within A-Tracts. J.Mol.Biol. V. 312 1037 2001.
ISSN: ISSN 0022-2836
PubMed: 11580248
DOI: 10.1006/JMBI.2001.4994