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

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

Resolution Low / High (Å)	20.86 / 2.00
Space group	P 31 1 2
Cell size a, b, c (Å), α, β, γ (°)	46.317, 46.317, 47.971, 90, 90, 120
R / Rfree (%)	21.1 / 21.6

The binding sites of Manganese atom in the Crystal Structure of D(Acgccgt/Acggcgt) in Complex with Echinomycin (pdb code 8xpb). 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(Acgccgt/Acggcgt) in Complex with Echinomycin, PDB code: 8xpb:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Crystal Structure of D(Acgccgt/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(Acgccgt/Acggcgt) in Complex with Echinomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn101 b:28.5 occ:1.00 O A:HOH203 2.2 32.1 1.0 N7 A:DG3 2.2 27.4 1.0 O A:HOH209 2.4 37.3 1.0 C8 A:DG3 3.1 29.8 1.0 C5 A:DG3 3.3 30.8 1.0 O6 A:DG3 3.7 30.0 1.0 C6 A:DG3 3.9 31.1 1.0 N9 A:DG3 4.3 29.0 1.0 OP2 A:DG3 4.4 35.5 1.0 C4 A:DG3 4.5 34.7 1.0 N4 D:QUI102 5.0 32.0 1.0

Manganese binding site 2 out of 3 in the Crystal Structure of D(Acgccgt/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(Acgccgt/Acggcgt) in Complex with Echinomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn102 b:55.9 occ:0.74 N7 A:DG6 2.3 40.3 1.0 C8 A:DG6 3.1 41.7 1.0 C5 A:DG6 3.5 38.6 1.0 O6 A:DG6 3.9 37.3 1.0 C6 A:DG6 4.1 37.0 1.0 N9 A:DG6 4.4 41.1 1.0 C4 A:DG6 4.6 39.1 1.0 OP2 A:DG6 4.7 49.1 1.0

Manganese binding site 3 out of 3 in the Crystal Structure of D(Acgccgt/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(Acgccgt/Acggcgt) in Complex with Echinomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn101 b:46.8 occ:0.49 N7 B:DG6 2.3 39.6 1.0 C8 B:DG6 3.2 40.8 1.0 C5 B:DG6 3.4 38.0 1.0 O6 B:DG6 3.7 37.5 1.0 C6 B:DG6 3.9 36.7 1.0 N9 B:DG6 4.5 40.1 1.0 C4 B:DG6 4.6 38.4 1.0 N4 D:QUI101 4.8 37.8 1.0 C3 D:QUI101 4.9 33.5 1.0

M.H.Hou, Y.J.Lin, S.M.Lin. Crystal Structure of D(Acgccgt/Acggcgt) in Complex with Echinomycin To Be Published.