Magnesium in PDB 4e1c: Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mg++

The structure of Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mg++, PDB code: 4e1c was solved by E.Durand, G.Audoly, E.Derrez, S.Spinelli, M.Ortiz-Lombardia, E.Cascales, D.Raoult, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.62 / 2.25
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	128.460, 128.460, 76.390, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 19.6

The binding sites of Magnesium atom in the Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mg++ (pdb code 4e1c). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mg++, PDB code: 4e1c:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mg++


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 Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mg++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:66.4 occ:1.00 OE1 A:GLN162 2.6 60.4 1.0 OE2 A:GLU339 2.6 50.1 1.0 O A:HOH741 2.7 66.1 1.0 OE1 A:GLU16 3.1 43.5 1.0 CD A:GLU339 3.2 47.5 1.0 OE2 A:GLU16 3.3 47.9 1.0 CD A:GLU16 3.4 52.5 1.0 OE1 A:GLU339 3.4 40.0 1.0 O A:HOH896 3.5 51.4 1.0 CD A:GLN162 3.5 63.0 1.0 O A:HOH754 3.6 45.2 1.0 O4 A:SO4405 3.8 53.7 1.0 NH1 A:ARG341 3.9 19.8 1.0 CG A:GLN162 3.9 43.6 1.0 O A:HOH740 4.2 37.7 1.0 CG A:GLU339 4.2 26.7 1.0 CB A:GLN162 4.2 26.1 1.0 NE2 A:GLN162 4.7 53.6 1.0 CG A:GLU16 4.8 34.1 1.0 OE2 A:GLU78 4.9 45.7 1.0 CB A:GLU16 5.0 26.1 1.0 O A:HOH721 5.0 34.2 1.0

Magnesium binding site 2 out of 2 in the Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mg++


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 Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mg++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:58.6 occ:1.00 OE2 A:GLU16 2.4 47.9 1.0 O3B A:ADP401 2.6 81.9 1.0 O3A A:ADP401 2.9 79.3 1.0 OE1 A:GLU78 3.0 42.9 1.0 PB A:ADP401 3.2 83.4 1.0 O A:HOH612 3.4 40.5 1.0 CD A:GLU16 3.5 52.5 1.0 O2B A:ADP401 3.7 86.1 1.0 O A:HOH896 3.9 51.4 1.0 CG2 A:VAL80 3.9 23.6 1.0 CG A:GLU16 3.9 34.1 1.0 CD A:GLU78 4.0 46.3 1.0 PA A:ADP401 4.3 74.3 1.0 O A:HOH920 4.3 53.3 1.0 C5' A:ADP401 4.4 44.6 1.0 OE2 A:GLU78 4.4 45.7 1.0 O A:HOH741 4.5 66.1 1.0 CG1 A:VAL80 4.5 22.8 1.0 O1B A:ADP401 4.6 83.5 1.0 OE1 A:GLU16 4.6 43.5 1.0 O2A A:ADP401 4.6 75.6 1.0 O5' A:ADP401 4.7 60.0 1.0 CB A:VAL80 4.9 24.1 1.0 CB A:GLU16 4.9 26.1 1.0

E.Durand, G.Audoly, E.Derrez, S.Spinelli, M.Ortiz-Lombardia, E.Cascales, D.Raoult, C.Cambillau. Structure and Functional Characterization of the Vibrio Cholerae Toxin From the Vgrg/Martx Family. J.Biol.Chem. 2012.
ISSN: ESSN 1083-351X