Magnesium in PDB 8ioo: Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+

The structure of Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+, PDB code: 8ioo was solved by K.Cheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.04 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	152.897, 124.842, 80.917, 90, 92.72, 90
R / Rfree (%)	22.8 / 24.4

The binding sites of Magnesium atom in the Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+ (pdb code 8ioo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+, PDB code: 8ioo:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in the Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:29.8 occ:1.00 OD1 A:ASP95 2.1 34.6 1.0 OD2 A:ASP40 2.1 48.1 1.0 OD2 A:ASP171 2.2 30.1 1.0 NE2 A:HIS121 2.3 35.3 1.0 CG A:ASP95 3.0 38.1 1.0 MG A:MG402 3.0 39.8 1.0 CG A:ASP40 3.1 33.6 1.0 CE1 A:HIS121 3.1 38.5 1.0 OD2 A:ASP95 3.2 32.0 1.0 CG A:ASP171 3.2 29.0 1.0 CD2 A:HIS121 3.3 36.0 1.0 CB A:ASP40 3.4 27.9 1.0 OD1 A:ASP171 3.5 34.7 1.0 O A:HOH584 3.9 48.3 1.0 N A:ALA141 4.2 29.4 1.0 OD1 A:ASP40 4.2 34.2 1.0 ND1 A:HIS121 4.3 36.0 1.0 CE1 A:HIS122 4.4 43.6 1.0 CG A:HIS121 4.4 37.5 1.0 CB A:ASP95 4.4 29.2 1.0 NE2 A:HIS122 4.5 47.2 1.0 CB A:ASP171 4.5 29.3 1.0 OD1 A:ASP38 4.6 38.7 1.0 CB A:ALA141 4.6 34.2 1.0 CA A:ALA140 4.7 33.3 1.0 OD2 A:ASP38 4.7 49.7 1.0 CA A:ASP40 4.8 31.5 1.0 C A:ALA140 5.0 29.0 1.0

Magnesium binding site 2 out of 6 in the Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:39.8 occ:1.00 OD2 A:ASP95 1.7 32.0 1.0 O A:HOH584 2.0 48.3 1.0 OD2 A:ASP38 2.4 49.7 1.0 OD1 A:ASP38 2.7 38.7 1.0 CG A:ASP95 2.7 38.1 1.0 NE2 A:HIS34 2.8 33.2 1.0 CG A:ASP38 2.9 39.1 1.0 MG A:MG401 3.0 29.8 1.0 OD1 A:ASP95 3.1 34.6 1.0 CD2 A:HIS34 3.4 30.4 1.0 CE1 A:HIS34 3.9 38.3 1.0 CB A:ASP95 4.1 29.2 1.0 CB A:ASP40 4.2 27.9 1.0 O A:ASP95 4.2 28.4 1.0 OD2 A:ASP40 4.3 48.1 1.0 N A:ALA41 4.3 22.5 1.0 O A:HOH539 4.4 46.0 1.0 OD1 A:ASP171 4.4 34.7 1.0 CB A:ASP38 4.4 38.4 1.0 CB A:ALA41 4.6 28.7 1.0 OD2 A:ASP171 4.6 30.1 1.0 O A:HOH616 4.6 59.3 1.0 CG A:HIS34 4.7 29.4 1.0 CE1 A:HIS122 4.7 43.6 1.0 NE2 A:HIS122 4.7 47.2 1.0 CG A:ASP40 4.7 33.6 1.0 CA A:ALA41 4.9 32.3 1.0 ND1 A:HIS34 4.9 35.4 1.0 CG A:ASP171 4.9 29.0 1.0 NE2 A:HIS121 5.0 35.3 1.0 C A:ASP40 5.0 26.5 1.0

Magnesium binding site 3 out of 6 in the Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:23.7 occ:1.00 O B:HOH537 1.8 49.4 1.0 NE2 B:HIS121 2.1 34.7 1.0 OD2 B:ASP40 2.3 37.5 1.0 OD2 B:ASP171 2.3 35.0 1.0 OD1 B:ASP95 2.4 31.4 1.0 CE1 B:HIS121 2.8 39.0 1.0 CG B:ASP95 3.0 32.7 1.0 OD2 B:ASP95 3.1 33.0 1.0 CG B:ASP171 3.2 40.2 1.0 CG B:ASP40 3.2 37.1 1.0 CD2 B:HIS121 3.3 35.8 1.0 OD1 B:ASP171 3.4 36.4 1.0 CB B:ASP40 3.5 29.0 1.0 MG B:MG402 3.6 36.5 1.0 ND1 B:HIS121 4.0 37.1 1.0 N B:ALA141 4.2 31.1 1.0 CG B:HIS121 4.3 34.9 1.0 CE1 B:HIS122 4.3 43.4 1.0 OD1 B:ASP40 4.4 36.5 1.0 CB B:ASP95 4.4 31.0 1.0 CB B:ASP171 4.6 38.3 1.0 NE2 B:HIS122 4.7 50.9 1.0 CA B:ALA140 4.7 33.1 1.0 CB B:ALA141 4.8 34.2 1.0 OD1 B:ASP38 4.8 41.8 1.0 CA B:ASP40 4.9 34.5 1.0 C B:ALA140 5.0 35.2 1.0

Magnesium binding site 4 out of 6 in the Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:36.5 occ:1.00 OD2 B:ASP95 2.0 33.0 1.0 OD2 B:ASP38 2.2 38.7 1.0 NE2 B:HIS34 2.2 38.3 1.0 OD1 B:ASP38 2.2 41.8 1.0 O B:HOH537 2.3 49.4 1.0 CG B:ASP38 2.5 39.6 1.0 CD2 B:HIS34 3.0 33.3 1.0 CG B:ASP95 3.1 32.7 1.0 CE1 B:HIS34 3.3 39.8 1.0 MG B:MG401 3.6 23.7 1.0 OD1 B:ASP95 3.8 31.4 1.0 CB B:ASP38 4.0 35.6 1.0 N B:ALA41 4.1 29.5 1.0 CB B:ALA41 4.2 33.3 1.0 CG B:HIS34 4.2 38.8 1.0 CB B:ASP95 4.3 31.0 1.0 CB B:ASP40 4.3 29.0 1.0 ND1 B:HIS34 4.3 40.7 1.0 O B:ASP95 4.5 35.2 1.0 N B:ASP38 4.6 36.9 1.0 OD1 B:ASP171 4.6 36.4 1.0 CA B:ALA41 4.6 30.6 1.0 O B:HOH512 4.8 44.1 1.0 OD2 B:ASP40 4.8 37.5 1.0 CA B:ASP38 4.9 40.0 1.0 C B:ASP40 4.9 35.1 1.0 O B:HOH521 4.9 39.3 1.0

Magnesium binding site 5 out of 6 in the Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:25.9 occ:1.00 OD2 C:ASP40 2.0 38.9 1.0 OD1 C:ASP95 2.0 34.2 1.0 OD2 C:ASP171 2.2 36.4 1.0 NE2 C:HIS121 2.2 42.2 1.0 O C:HOH570 2.8 49.4 1.0 CG C:ASP95 2.9 36.9 1.0 CE1 C:HIS121 3.0 42.2 1.0 CG C:ASP40 3.1 36.6 1.0 OD2 C:ASP95 3.2 37.8 1.0 CG C:ASP171 3.3 36.7 1.0 CD2 C:HIS121 3.3 41.2 1.0 MG C:MG402 3.4 34.6 1.0 CB C:ASP40 3.6 28.4 1.0 O C:HOH591 3.7 51.2 1.0 OD1 C:ASP171 3.7 38.8 1.0 N C:ALA141 4.1 35.3 1.0 ND1 C:HIS121 4.2 42.5 1.0 OD1 C:ASP40 4.2 36.3 1.0 CB C:ASP95 4.3 32.4 1.0 CE1 C:HIS122 4.4 49.4 1.0 CG C:HIS121 4.4 44.7 1.0 NE2 C:HIS122 4.4 51.8 1.0 CB C:ALA141 4.5 34.6 1.0 CB C:ASP171 4.6 35.6 1.0 CA C:ALA140 4.8 34.3 1.0 CA C:ASP95 4.9 33.6 1.0 C C:ALA140 4.9 37.7 1.0 CA C:ALA141 5.0 37.0 1.0 OD1 C:ASP38 5.0 39.4 1.0

Magnesium binding site 6 out of 6 in the Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Deinococcus Radiodurans Recj-Like Protein in Complex with MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg402 b:34.6 occ:1.00 O C:HOH591 2.0 51.2 1.0 OD2 C:ASP95 2.1 37.8 1.0 OD2 C:ASP38 2.3 43.1 1.0 NE2 C:HIS34 2.3 39.4 1.0 OD1 C:ASP38 2.5 39.4 1.0 CG C:ASP38 2.7 36.8 1.0 CG C:ASP95 3.1 36.9 1.0 CD2 C:HIS34 3.2 36.5 1.0 O C:HOH570 3.3 49.4 1.0 MG C:MG401 3.4 25.9 1.0 CE1 C:HIS34 3.4 38.9 1.0 OD1 C:ASP95 3.4 34.2 1.0 CB C:ASP40 4.0 28.4 1.0 N C:ALA41 4.2 30.5 1.0 CB C:ASP38 4.2 33.6 1.0 OD2 C:ASP40 4.3 38.9 1.0 CG C:HIS34 4.4 36.4 1.0 OD1 C:ASP171 4.4 38.8 1.0 CB C:ASP95 4.4 32.4 1.0 ND1 C:HIS34 4.4 35.5 1.0 CB C:ALA41 4.4 31.6 1.0 OD2 C:ASP171 4.5 36.4 1.0 O C:ASP95 4.6 36.3 1.0 CG C:ASP40 4.6 36.6 1.0 CA C:ALA41 4.8 30.2 1.0 C C:ASP40 4.8 36.0 1.0 O C:HOH536 4.8 39.3 1.0 CA C:ASP40 4.9 34.8 1.0 N C:ASP38 4.9 34.0 1.0 CG C:ASP171 4.9 36.7 1.0

K.Cheng, Y.Wang. The Structural and Functional Investigation of the Dhh/DHHA1 Family Proteins in Deinococcus Radiodurans To Be Published.