Manganese in PDB 3ss1: Clostridium Difficile Toxin A (Tcda) Glucolsyltransferase Domain

The structure of Clostridium Difficile Toxin A (Tcda) Glucolsyltransferase Domain, PDB code: 3ss1 was solved by R.N.Pruitt, N.M.Chumbler, M.A.Farrow, S.A.Seeback, D.B.Friedman, B.W.Spiller, D.B.Lacy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.30 / 2.20
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	141.908, 141.908, 65.946, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 22.7

The binding sites of Manganese atom in the Clostridium Difficile Toxin A (Tcda) Glucolsyltransferase Domain (pdb code 3ss1). 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 Clostridium Difficile Toxin A (Tcda) Glucolsyltransferase Domain, PDB code: 3ss1:

Manganese binding site 1 out of 1 in the Clostridium Difficile Toxin A (Tcda) Glucolsyltransferase Domain


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Clostridium Difficile Toxin A (Tcda) Glucolsyltransferase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1542 b:99.1 occ:1.00 O A:HOH750 2.1 45.0 1.0 O A:HOH637 2.5 33.5 1.0 OE2 A:GLU514 2.5 58.3 1.0 O A:HOH745 2.6 51.2 1.0 OD2 A:ASP287 2.9 52.6 1.0 OG A:SER517 3.3 93.3 1.0 CD A:GLU514 3.3 53.8 1.0 CB A:SER517 3.6 90.4 1.0 CG A:ASP287 3.6 44.3 1.0 OE1 A:GLU514 3.7 46.8 1.0 O A:GLU514 3.7 39.2 1.0 OD1 A:ASP287 3.8 40.0 1.0 CA A:GLU514 4.1 44.7 1.0 OE1 A:GLN384 4.2 29.1 1.0 C A:GLU514 4.4 39.4 1.0 C A:SER517 4.4 88.5 1.0 CG A:GLU514 4.5 50.7 1.0 N A:LEU518 4.5 93.0 1.0 CB A:GLU514 4.6 51.1 1.0 OD2 A:ASP285 4.6 31.9 1.0 CA A:SER517 4.6 86.7 1.0 O A:SER517 4.7 88.1 1.0 CG A:LEU518 4.8 89.3 1.0 CB A:ASP287 4.9 43.7 1.0 O A:GLN513 4.9 49.7 1.0 CD2 A:LEU518 4.9 87.2 1.0

R.N.Pruitt, N.M.Chumbler, S.A.Rutherford, M.A.Farrow, D.B.Friedman, B.Spiller, D.B.Lacy. Structural Determinants of Clostridium Difficile Toxin A Glucosyltransferase Activity. J.Biol.Chem. V. 287 8013 2012.
ISSN: ISSN 0021-9258
PubMed: 22267739
DOI: 10.1074/JBC.M111.298414