Magnesium in PDB 2r6t: Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp

The structure of Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp, PDB code: 2r6t was solved by M.St Maurice, P.E.Mera, J.C.Escalante-Semerena, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.61
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	64.678, 64.678, 169.197, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 25.9

The binding sites of Magnesium atom in the Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp (pdb code 2r6t). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp, PDB code: 2r6t:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg994 b:8.4 occ:1.00 O3G A:ATP995 2.7 18.5 1.0 O A:ILE3 2.8 29.6 1.0 O2A A:ATP995 2.9 22.1 1.0 O1G A:ATP995 2.9 22.2 1.0 O1A A:ATP995 3.2 20.5 1.0 PG A:ATP995 3.2 22.4 1.0 PA A:ATP995 3.5 23.6 1.0 O3B A:ATP995 3.7 21.1 1.0 C A:ILE3 3.9 29.9 1.0 CA A:TYR4 4.0 28.2 1.0 N A:TYR4 4.4 29.1 1.0 MG A:MG993 4.4 11.8 1.0 N A:THR5 4.5 27.6 1.0 O3A A:ATP995 4.5 22.8 1.0 O2G A:ATP995 4.7 20.6 1.0 O5' A:ATP995 4.8 21.2 1.0 PB A:ATP995 4.8 21.4 1.0 C A:TYR4 4.8 28.0 1.0 CB A:TYR4 4.8 27.8 1.0

Magnesium binding site 2 out of 4 in the Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg993 b:11.8 occ:1.00 O A:HOH1045 2.0 13.9 1.0 O1B A:ATP995 2.1 22.8 1.0 O1A A:ATP995 2.4 20.5 1.0 O3G A:ATP995 2.4 18.5 1.0 PB A:ATP995 3.1 21.4 1.0 O3A A:ATP995 3.3 22.8 1.0 PG A:ATP995 3.4 22.4 1.0 PA A:ATP995 3.5 23.6 1.0 O3B A:ATP995 3.5 21.1 1.0 NZ A:LYS23 3.5 15.7 1.0 O2G A:ATP995 3.9 20.6 1.0 N7 A:ATP995 4.3 16.4 1.0 MG A:MG994 4.4 8.4 1.0 CE A:LYS23 4.4 16.8 1.0 O2B A:ATP995 4.5 21.1 1.0 O2A A:ATP995 4.5 22.1 1.0 O5' A:ATP995 4.6 21.2 1.0 C8 A:ATP995 4.6 16.6 1.0 O1G A:ATP995 4.7 22.2 1.0

Magnesium binding site 3 out of 4 in the Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg994 b:25.3 occ:1.00 O1A B:ATP995 1.9 28.9 1.0 O1B B:ATP995 2.3 23.7 1.0 O3G B:ATP995 2.3 34.3 1.0 PB B:ATP995 3.2 27.8 1.0 PA B:ATP995 3.3 28.8 1.0 PG B:ATP995 3.5 32.3 1.0 O3A B:ATP995 3.5 27.9 1.0 O3B B:ATP995 3.6 29.8 1.0 O2G B:ATP995 4.0 29.0 1.0 NZ B:LYS23 4.0 24.9 1.0 MG B:MG993 4.1 13.5 1.0 O5' B:ATP995 4.3 29.6 1.0 O2A B:ATP995 4.3 28.0 1.0 N7 B:ATP995 4.4 25.9 1.0 O B:HOH1021 4.5 17.3 1.0 O2B B:ATP995 4.6 28.4 1.0 C8 B:ATP995 4.6 26.5 1.0 O1G B:ATP995 4.7 32.0 1.0 CE B:LYS23 4.8 23.1 1.0

Magnesium binding site 4 out of 4 in the Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of A R132K Variant Pduo-Type Atp:Co(I)Rrinoid Adenosyltransferase From Lactobacillus Reuteri Complexed with Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg993 b:13.5 occ:1.00 O3G B:ATP995 2.7 34.3 1.0 O B:ILE3 2.8 35.8 1.0 O2A B:ATP995 2.9 28.0 1.0 O1G B:ATP995 3.1 32.0 1.0 O1A B:ATP995 3.3 28.9 1.0 PG B:ATP995 3.3 32.3 1.0 PA B:ATP995 3.6 28.8 1.0 O3B B:ATP995 3.8 29.8 1.0 C B:ILE3 3.9 36.3 1.0 O B:HOH1037 3.9 18.7 1.0 MG B:MG994 4.1 25.3 1.0 O B:HOH1021 4.1 17.3 1.0 CA B:TYR4 4.3 36.7 1.0 N B:TYR4 4.5 36.5 1.0 O3A B:ATP995 4.6 27.9 1.0 N B:THR5 4.7 37.1 1.0 O2G B:ATP995 4.8 29.0 1.0 PB B:ATP995 4.8 27.8 1.0 O5' B:ATP995 4.9 29.6 1.0 CA B:ILE3 5.0 36.2 1.0

P.E.Mera, M.St Maurice, I.Rayment, J.C.Escalante-Semerena. Structural and Functional Analyses of the Human-Type Corrinoid Adenosyltransferase (Pduo) From Lactobacillus Reuteri. Biochemistry V. 46 13829 2007.
ISSN: ISSN 0006-2960
PubMed: 17988155
DOI: 10.1021/BI701622J