Manganese in PDB 8xp8: Crystal Structure of D(Acgmccgt/Acggcgt) in Complex with Echinomycin

The structure of Crystal Structure of D(Acgmccgt/Acggcgt) in Complex with Echinomycin, PDB code: 8xp8 was solved by M.H.Hou, S.M.Lin, H.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.66 / 1.64
Space group	P 31 1 2
Cell size a, b, c (Å), α, β, γ (°)	46.329, 46.329, 47.954, 90, 90, 120
R / Rfree (%)	23.4 / 24.3

The binding sites of Manganese atom in the Crystal Structure of D(Acgmccgt/Acggcgt) in Complex with Echinomycin (pdb code 8xp8). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of D(Acgmccgt/Acggcgt) in Complex with Echinomycin, PDB code: 8xp8:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of D(Acgmccgt/Acggcgt) in Complex with Echinomycin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of D(Acgmccgt/Acggcgt) in Complex with Echinomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn101 b:50.4 occ:1.00 O A:HOH217 2.2 46.5 1.0 O A:HOH212 2.2 47.7 1.0 N7 A:DG6 2.3 31.3 1.0 O A:HOH215 2.4 51.6 1.0 O A:HOH224 2.5 64.8 1.0 O A:HOH208 2.5 44.2 1.0 O D:HOH202 2.9 56.0 1.0 C8 A:DG6 3.1 32.4 1.0 C5 A:DG6 3.5 30.3 1.0 O6 A:DG6 3.8 28.9 1.0 O A:HOH213 4.0 39.2 1.0 C6 A:DG6 4.0 29.2 1.0 N9 A:DG6 4.4 32.6 1.0 C4 A:DG6 4.6 31.2 1.0 OP2 A:DG6 4.7 32.3 1.0 N4 D:QUI102 4.9 35.6 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of D(Acgmccgt/Acggcgt) in Complex with Echinomycin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of D(Acgmccgt/Acggcgt) in Complex with Echinomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn102 b:21.9 occ:1.00 N7 A:DG3 2.2 24.6 1.0 O A:HOH207 2.3 25.7 1.0 O A:HOH216 2.3 27.5 1.0 C8 A:DG3 3.1 26.0 1.0 C5 A:DG3 3.3 25.8 1.0 O6 A:DG3 3.7 23.1 1.0 C6 A:DG3 3.9 24.0 1.0 N9 A:DG3 4.3 29.6 1.0 O A:HOH209 4.4 44.0 1.0 C4 A:DG3 4.5 29.0 1.0 OP2 A:DG3 4.5 25.7 1.0 O E:HOH201 4.6 35.4 1.0 N4 E:QUI102 4.9 24.3 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of D(Acgmccgt/Acggcgt) in Complex with Echinomycin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of D(Acgmccgt/Acggcgt) in Complex with Echinomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn101 b:47.6 occ:1.00 N7 B:DG6 2.2 31.3 1.0 O B:HOH215 2.2 44.7 1.0 O B:HOH218 2.2 58.4 1.0 O B:HOH212 2.3 48.8 1.0 C8 B:DG6 3.0 32.1 1.0 C5 B:DG6 3.4 30.1 1.0 O6 B:DG6 3.7 28.5 1.0 C6 B:DG6 3.9 29.0 1.0 O B:HOH210 4.1 41.8 1.0 N9 B:DG6 4.3 32.4 1.0 C4 B:DG6 4.5 31.0 1.0 OP2 B:DG6 4.8 32.5 1.0 N4 E:QUI101 4.8 35.2 1.0 C3 E:QUI101 4.9 36.0 1.0 O B:HOH219 4.9 50.6 1.0

M.H.Hou, M.H.Hou, S.M.Lin, H.Neidle. N/A N/A.