Manganese in PDB 4e1d: Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mn++

The structure of Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mn++, PDB code: 4e1d 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)	45.39 / 2.49
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	128.390, 128.390, 76.720, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 24.1

The binding sites of Manganese atom in the Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mn++ (pdb code 4e1d). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mn++, PDB code: 4e1d:
Jump to Manganese binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:46.8 occ:0.60 OE2 A:GLU16 2.7 41.0 1.0 OE1 A:GLN162 2.7 53.7 1.0 OE1 A:GLU16 2.8 48.0 1.0 O3B A:ADP401 2.9 54.4 1.0 OE2 A:GLU339 2.9 42.3 1.0 CD A:GLU16 3.1 48.2 1.0 OE1 A:GLU339 3.2 28.8 1.0 CD A:GLU339 3.2 40.9 1.0 CD A:GLN162 3.8 55.6 1.0 MN A:MN403 3.9 42.9 1.0 O A:HOH636 4.0 30.2 1.0 O4 A:SO4404 4.0 60.5 1.0 NH1 A:ARG341 4.2 5.1 1.0 PB A:ADP401 4.3 53.0 1.0 CG A:GLU339 4.3 25.3 1.0 CG A:GLU16 4.5 32.7 1.0 CG A:GLN162 4.5 34.7 1.0 O2B A:ADP401 4.6 56.1 1.0 CB A:GLN162 4.7 23.7 1.0 NE2 A:GLN162 4.8 44.1 1.0 OE2 A:GLU78 5.0 34.3 1.0

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain in Complex with Adp and Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn403 b:42.9 occ:1.00 OE2 A:GLU16 2.2 41.0 1.0 O3B A:ADP401 2.5 54.4 1.0 OE1 A:GLU78 2.5 38.3 1.0 O2A A:ADP401 2.7 52.2 1.0 O A:HOH636 2.7 30.2 1.0 CD A:GLU78 3.4 38.8 1.0 CD A:GLU16 3.4 48.2 1.0 PB A:ADP401 3.5 53.0 1.0 OE2 A:GLU78 3.5 34.3 1.0 O1B A:ADP401 3.6 48.3 1.0 PA A:ADP401 3.8 52.4 1.0 O3A A:ADP401 3.8 57.2 1.0 MN A:MN402 3.9 46.8 0.6 CG A:GLU16 4.0 32.7 1.0 O5' A:ADP401 4.4 43.8 1.0 OE1 A:GLU16 4.4 48.0 1.0 CG2 A:VAL80 4.4 17.6 1.0 OD1 A:ASP51 4.7 40.1 1.0 CG A:GLU78 4.8 22.1 1.0 CB A:GLU16 4.8 24.5 1.0 O2B A:ADP401 4.9 56.1 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