Magnesium in PDB 5jjg: Structure of Magnesium-Loaded Alg-2

The structure of Structure of Magnesium-Loaded Alg-2, PDB code: 5jjg was solved by J.J.Tanner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.35 / 1.72
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.530, 48.529, 54.350, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 20.8

The binding sites of Magnesium atom in the Structure of Magnesium-Loaded Alg-2 (pdb code 5jjg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of Magnesium-Loaded Alg-2, PDB code: 5jjg:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Structure of Magnesium-Loaded Alg-2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Magnesium-Loaded Alg-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:26.9 occ:1.00 OD1 A:ASP36 2.0 30.3 1.0 OD1 A:ASP38 2.0 36.6 1.0 O A:HOH310 2.0 30.0 1.0 O A:VAL42 2.1 26.7 1.0 OE1 A:GLU47 2.3 28.4 1.0 OG A:SER40 2.9 34.5 1.0 OE2 A:GLU47 3.0 31.8 1.0 CD A:GLU47 3.0 30.2 1.0 CG A:ASP38 3.0 39.4 1.0 C A:VAL42 3.2 27.1 1.0 CG A:ASP36 3.2 30.6 1.0 OD2 A:ASP38 3.3 42.4 1.0 CB A:SER40 4.0 35.1 1.0 N A:ILE43 4.0 25.7 1.0 CA A:ILE43 4.0 23.9 1.0 O A:HOH307 4.1 48.7 1.0 OD2 A:ASP36 4.1 30.4 1.0 CA A:ASP36 4.2 28.6 1.0 N A:VAL42 4.2 29.0 1.0 N A:SER40 4.2 38.6 1.0 CB A:ASP36 4.2 30.1 1.0 CA A:VAL42 4.3 26.9 1.0 N A:ASP38 4.3 30.6 1.0 CB A:ASP38 4.3 37.5 1.0 N A:SER44 4.3 25.8 1.0 C A:ASP36 4.4 31.0 1.0 CG A:GLU47 4.4 26.7 1.0 N A:ARG39 4.5 38.4 1.0 CA A:SER40 4.6 35.5 1.0 CA A:ASP38 4.6 37.0 1.0 N A:LYS37 4.7 29.0 1.0 C A:ILE43 4.7 26.7 1.0 C A:ASP38 4.7 39.4 1.0 CB A:VAL42 4.8 32.5 1.0 O A:ASP36 4.9 32.1 1.0 N A:GLY41 4.9 32.4 1.0

Magnesium binding site 2 out of 3 in the Structure of Magnesium-Loaded Alg-2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Magnesium-Loaded Alg-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:26.5 occ:1.00 O A:HOH340 1.9 24.5 1.0 OD1 A:ASP105 2.0 24.6 1.0 OD1 A:ASP103 2.1 23.1 1.0 O A:MET109 2.2 22.8 1.0 OG A:SER107 2.2 25.0 1.0 O A:HOH329 2.3 29.5 1.0 CG A:ASP105 3.1 30.0 1.0 CG A:ASP103 3.3 23.2 1.0 CB A:SER107 3.3 23.7 1.0 C A:MET109 3.4 22.0 1.0 OD2 A:ASP105 3.5 31.3 1.0 N A:SER107 3.7 23.7 1.0 N A:MET109 3.9 22.1 1.0 CA A:SER107 4.0 21.5 1.0 OD2 A:ASP103 4.0 22.7 1.0 CA A:ASP103 4.1 18.9 1.0 O A:HOH321 4.2 33.0 1.0 O A:HOH312 4.2 24.8 1.0 CB A:ASP103 4.2 19.4 1.0 CA A:MET109 4.2 21.4 1.0 N A:ASP105 4.3 23.8 1.0 O A:HOH387 4.3 43.2 1.0 N A:ILE110 4.3 19.3 1.0 OE1 A:GLN145 4.3 33.8 1.0 C A:ASP103 4.4 21.6 1.0 CB A:ASP105 4.4 25.4 1.0 CA A:ILE110 4.4 22.6 1.0 N A:GLY108 4.4 21.5 1.0 OE1 A:GLU114 4.4 22.4 1.0 N A:ASN106 4.5 23.6 1.0 C A:SER107 4.5 24.2 1.0 N A:ARG104 4.6 19.0 1.0 O A:HOH379 4.6 39.8 1.0 C A:ASP105 4.6 25.5 1.0 CA A:ASP105 4.7 27.1 1.0 O A:ASP103 4.8 22.7 1.0 C A:ASN106 4.9 30.3 1.0 CB A:MET109 4.9 23.1 1.0

Magnesium binding site 3 out of 3 in the Structure of Magnesium-Loaded Alg-2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Magnesium-Loaded Alg-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:27.2 occ:1.00 O A:HOH365 2.0 23.5 1.0 OD1 A:ASP171 2.0 31.6 1.0 O A:TRP175 2.1 23.9 1.0 OD1 A:ASP169 2.1 26.5 1.0 OD1 A:ASP173 2.1 30.8 1.0 O A:HOH330 2.2 27.9 1.0 CG A:ASP171 3.0 35.8 1.0 CG A:ASP173 3.1 36.9 1.0 CG A:ASP169 3.2 26.2 1.0 C A:TRP175 3.2 20.8 1.0 OD2 A:ASP171 3.3 34.0 1.0 OD2 A:ASP173 3.6 30.1 1.0 N A:TRP175 3.9 24.3 1.0 CA A:TRP175 4.0 25.8 1.0 OD2 A:ASP169 4.0 24.9 1.0 CA A:ASP169 4.1 20.7 1.0 N A:ASP173 4.1 33.5 1.0 CB A:ASP169 4.1 22.8 1.0 O A:HOH309 4.2 32.4 1.0 N A:ILE176 4.3 20.2 1.0 N A:ASP171 4.3 28.1 1.0 CB A:ASP173 4.3 37.4 1.0 CB A:TRP175 4.3 22.1 1.0 CB A:ASP171 4.3 34.7 1.0 O A:HOH374 4.4 30.1 1.0 N A:GLN172 4.4 29.1 1.0 C A:ASP169 4.4 23.6 1.0 CA A:ILE176 4.4 21.5 1.0 CA A:ASP173 4.6 34.7 1.0 C A:ASP171 4.6 27.9 1.0 CA A:ASP171 4.6 31.2 1.0 N A:GLY174 4.6 26.1 1.0 N A:THR170 4.7 23.7 1.0 C A:ASP173 4.8 30.8 1.0 CG2 A:ILE176 4.9 23.2 1.0 O A:ASP169 4.9 26.9 1.0

J.J.Tanner, B.B.Frey, T.Pemberton, M.T.Henzl. EF5 Is the High-Affinity Mg(2+) Site in Alg-2. Biochemistry V. 55 5128 2016.
ISSN: ISSN 0006-2960
PubMed: 27541325
DOI: 10.1021/ACS.BIOCHEM.6B00596