Manganese in PDB 4e1f: Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain GLU16GLN Mutant in Complex with Adp and Mn++

The structure of Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain GLU16GLN Mutant in Complex with Adp and Mn++, PDB code: 4e1f 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)	46.22 / 2.10
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	129.130, 129.130, 77.110, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 18.8

The binding sites of Manganese atom in the Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain GLU16GLN Mutant in Complex with Adp and Mn++ (pdb code 4e1f). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain GLU16GLN Mutant in Complex with Adp and Mn++, PDB code: 4e1f:

Manganese binding site 1 out of 1 in the Structure of A Vgrg Vibrio Cholerae Toxin Acd Domain GLU16GLN Mutant 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 GLU16GLN Mutant in Complex with Adp and Mn++ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:61.1 occ:0.60 O A:HOH809 2.0 25.9 1.0 O3B A:ADP401 2.5 76.0 1.0 O A:HOH927 2.7 39.9 1.0 O A:HOH918 3.1 45.2 1.0 O1B A:ADP401 3.1 75.8 1.0 O2A A:ADP401 3.2 60.9 1.0 PB A:ADP401 3.3 75.1 1.0 OE1 A:GLU78 3.7 28.2 1.0 O3A A:ADP401 3.9 69.7 1.0 O A:HOH924 4.0 42.3 1.0 PA A:ADP401 4.2 60.9 1.0 OG1 A:THR49 4.4 18.6 1.0 O A:LYS50 4.5 18.5 1.0 O2B A:ADP401 4.7 75.8 1.0 O1A A:ADP401 4.7 61.9 1.0 CG2 A:VAL80 4.7 15.9 1.0 CB A:THR49 4.8 17.9 1.0 CD A:GLU78 4.9 29.3 1.0 OD1 A:ASP51 5.0 30.2 1.0 OE1 A:GLN16 5.0 40.5 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