Manganese in PDB 3tal: Crystal Structure of Nura with Manganese

The structure of Crystal Structure of Nura with Manganese, PDB code: 3tal was solved by J.Chae, Y.C.Kim, Y.Cho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.48 / 3.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.803, 114.654, 121.624, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 28.5

The binding sites of Manganese atom in the Crystal Structure of Nura with Manganese (pdb code 3tal). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Nura with Manganese, PDB code: 3tal:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Nura with Manganese


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 Nura with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn452 b:94.0 occ:1.00 O A:HOH466 2.1 70.6 1.0 OD2 A:ASP126 2.2 97.1 1.0 OD1 A:ASP126 2.2 0.4 1.0 OD1 A:ASP51 2.2 72.7 1.0 O A:HOH455 2.2 63.2 1.0 CG A:ASP126 2.5 97.9 1.0 CG A:ASP51 3.4 71.1 1.0 O A:HOH456 3.4 0.3 1.0 OD2 A:ASP51 3.9 80.7 1.0 CB A:ASP126 4.0 63.3 1.0 O A:GLY52 4.1 76.4 1.0 O A:ASP126 4.1 87.9 1.0 OE2 A:GLU105 4.1 63.8 1.0 MN A:MN453 4.3 0.6 1.0 N A:GLY52 4.3 75.7 1.0 OE1 A:GLU105 4.6 70.2 1.0 O2 A:GOL454 4.6 95.2 1.0 CB A:ASP51 4.6 49.3 1.0 C A:ASP126 4.7 90.7 1.0 CA A:ASP51 4.7 63.2 1.0 O3 A:GOL454 4.8 0.8 1.0 CD A:GLU105 4.8 60.9 1.0 CA A:ASP126 4.9 81.2 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Nura with Manganese


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 Nura with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn453 b:0.6 occ:1.00 OD2 A:ASP51 2.2 80.7 1.0 ND1 A:HIS411 2.2 0.3 1.0 O A:HOH455 2.6 63.2 1.0 CE1 A:HIS411 2.9 0.1 1.0 CG A:HIS411 3.2 0.5 1.0 CG A:ASP51 3.2 71.1 1.0 OD2 A:ASP126 3.4 97.1 1.0 OD1 A:ASP51 3.6 72.7 1.0 CB A:HIS411 3.7 0.1 1.0 NE2 A:HIS411 3.9 0.6 1.0 CD2 A:HIS411 4.1 0.5 1.0 CA A:HIS411 4.2 0.8 1.0 MN A:MN452 4.3 94.0 1.0 CB A:ASP51 4.5 49.3 1.0 O A:HIS411 4.6 99.2 1.0 CG A:ASP126 4.6 97.9 1.0 CG1 A:VAL414 4.8 0.1 1.0 C A:HIS411 4.8 0.4 1.0 O A:GLY52 4.9 76.4 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Nura with Manganese


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 Nura with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn452 b:0.5 occ:1.00 OD2 B:ASP126 2.2 99.5 1.0 OD1 B:ASP51 2.2 0.1 1.0 O B:HOH454 2.5 84.6 1.0 O B:HOH458 2.8 70.3 1.0 CG B:ASP51 3.1 0.5 1.0 OD2 B:ASP51 3.4 0.7 1.0 MN B:MN453 3.4 0.8 1.0 CG B:ASP126 3.4 94.2 1.0 O B:ASP126 4.0 90.2 1.0 O B:GLY52 4.2 0.5 1.0 CB B:ASP126 4.3 88.7 1.0 N B:GLY52 4.3 0.9 1.0 OD1 B:ASP126 4.3 88.7 1.0 OE1 B:GLU105 4.5 0.2 1.0 CB B:ASP51 4.6 83.3 1.0 C B:ASP126 4.8 89.8 1.0 OE2 B:GLU105 4.9 0.2 1.0 CA B:ASP51 4.9 93.5 1.0 C B:GLY52 5.0 0.9 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Nura with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Nura with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn453 b:0.8 occ:1.00 CD2 B:HIS411 2.0 0.7 1.0 OD2 B:ASP51 2.3 0.7 1.0 NE2 B:HIS411 2.4 0.0 1.0 CG B:HIS411 3.3 0.3 1.0 CG B:ASP51 3.4 0.5 1.0 MN B:MN452 3.4 0.5 1.0 OD2 B:ASP126 3.5 99.5 1.0 CE1 B:HIS411 3.6 0.4 1.0 OD1 B:ASP51 3.7 0.1 1.0 ND1 B:HIS411 4.1 0.1 1.0 CG B:ASP126 4.2 94.2 1.0 CB B:HIS411 4.2 0.9 1.0 OD1 B:ASP126 4.5 88.7 1.0 CB B:ASP51 4.7 83.3 1.0 O B:GLY52 4.8 0.5 1.0 CA B:HIS411 4.8 0.7 1.0

J.Chae, Y.C.Kim, Y.Cho. Crystal Structure of the Nura-Damp-MN2+ Complex Nucleic Acids Res. V. 40 2258 2012.
ISSN: ISSN 0305-1048
PubMed: 22064858
DOI: 10.1093/NAR/GKR999