Magnesium in PDB 7vuk: Crystal Structure of the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp.

The structure of Crystal Structure of the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp., PDB code: 7vuk was solved by K.Fukui, T.Yano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.37 / 3.38
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	133.654, 133.654, 197.461, 90, 90, 90
R / Rfree (%)	26.7 / 27.2

The structure of Crystal Structure of the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp. also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Sodium	(Na)	8 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp. (pdb code 7vuk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure of the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp., PDB code: 7vuk:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Crystal Structure of the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp.


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 the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:45.9 occ:1.00 OG1 A:THR322 1.9 71.3 1.0 O2B A:ADP517 2.5 59.9 1.0 CB A:THR322 3.1 73.1 1.0 PB A:ADP517 3.5 57.9 1.0 CG2 A:THR322 3.6 73.8 1.0 OE2 A:GLU395 3.6 77.5 1.0 O1B A:ADP517 3.7 61.2 1.0 O3A A:ADP517 4.0 65.3 1.0 OD2 A:ASP394 4.0 52.0 1.0 CG A:GLU395 4.3 74.5 1.0 CA A:THR322 4.3 77.9 1.0 CD A:GLU395 4.4 78.9 1.0 N A:THR322 4.5 76.0 1.0 OD1 A:ASP394 4.6 53.9 1.0 CG A:ASP394 4.7 54.4 1.0 O3B A:ADP517 4.9 54.5 1.0

Magnesium binding site 2 out of 5 in the Crystal Structure of the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp.


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 the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:33.7 occ:1.00 OE2 A:GLU418 3.9 82.5 1.0 O A:ALA411 4.2 58.9 1.0 OE1 A:GLU418 4.2 81.5 1.0 N A:ALA415 4.3 53.7 1.0 CD A:GLU418 4.4 78.5 1.0 CB A:ALA415 4.5 55.1 1.0 CB A:GLU414 4.5 54.7 1.0 CA A:ALA415 4.5 52.5 1.0 C A:GLU414 4.9 61.3 1.0

Magnesium binding site 3 out of 5 in the Crystal Structure of the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp.


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 the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:46.9 occ:1.00 O A:TRP350 3.6 74.9 1.0 CB A:HIS388 4.3 60.6 1.0 ND1 A:HIS388 4.4 65.6 1.0 CG A:HIS388 4.4 63.1 1.0 N A:ASP352 4.4 56.8 1.0 CB A:ASP352 4.5 56.9 1.0 CA A:ASP352 4.7 63.5 1.0 C A:TRP350 4.9 74.8 1.0 C A:PRO351 4.9 58.7 1.0

Magnesium binding site 4 out of 5 in the Crystal Structure of the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp.


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 the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:35.5 occ:1.00 O2B B:ADP511 2.1 50.4 1.0 OG1 B:THR322 2.3 52.7 1.0 PB B:ADP511 3.3 54.3 1.0 OD2 B:ASP394 3.4 63.8 1.0 OE2 B:GLU395 3.4 68.2 1.0 CB B:THR322 3.6 54.2 1.0 O3A B:ADP511 3.7 54.6 1.0 O3B B:ADP511 3.7 60.8 1.0 OD1 B:ASP394 3.9 59.6 1.0 CG B:ASP394 4.1 59.5 1.0 CG B:GLU395 4.2 58.7 1.0 CD B:GLU395 4.2 57.3 1.0 CG2 B:THR322 4.4 46.9 1.0 N B:THR322 4.6 46.2 1.0 O1B B:ADP511 4.6 48.3 1.0 CA B:THR322 4.6 48.9 1.0

Magnesium binding site 5 out of 5 in the Crystal Structure of the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp.


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 the Core Region of Thermus Thermophilus MUTS2 Complexed with Adp. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:42.1 occ:1.00 OE1 B:GLN443 3.2 58.4 1.0 O B:GLY463 3.4 72.9 1.0 C B:GLY463 4.2 57.7 1.0 CD B:GLN443 4.3 59.2 1.0 CB B:ASN444 4.4 60.4 1.0 CA B:GLY463 4.4 44.2 1.0 CG B:GLN437 4.5 102.1 1.0 N B:ASN444 4.6 42.5 1.0 NE2 B:GLN443 4.8 61.7 1.0 ND2 B:ASN444 4.8 74.0 1.0

K.Fukui, M.Inoue, T.Murakawa, S.Baba, T.Kumasaka, T.Yano. Structural and Functional Insights Into the Mechanism By Which MUTS2 Recognizes A Dna Junction. Structure V. 30 973 2022.
ISSN: ISSN 0969-2126
PubMed: 35439431
DOI: 10.1016/J.STR.2022.03.014