Manganese in PDB 2bvl: Crystal Structure of the Catalytic Domain of Toxin B From Clostridium Difficile in Complex with Udp, Glc and Manganese Ion

The structure of Crystal Structure of the Catalytic Domain of Toxin B From Clostridium Difficile in Complex with Udp, Glc and Manganese Ion, PDB code: 2bvl was solved by D.J.Reinert, T.Jank, K.Aktories, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.2
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.010, 95.797, 112.915, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 24.4

The structure of Crystal Structure of the Catalytic Domain of Toxin B From Clostridium Difficile in Complex with Udp, Glc and Manganese Ion also contains other interesting chemical elements:

Bromine	(Br)	48 atoms
Tantalum	(Ta)	24 atoms

The binding sites of Manganese atom in the Crystal Structure of the Catalytic Domain of Toxin B From Clostridium Difficile in Complex with Udp, Glc and Manganese Ion (pdb code 2bvl). 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 Crystal Structure of the Catalytic Domain of Toxin B From Clostridium Difficile in Complex with Udp, Glc and Manganese Ion, PDB code: 2bvl:

Manganese binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Toxin B From Clostridium Difficile in Complex with Udp, Glc and Manganese Ion


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Catalytic Domain of Toxin B From Clostridium Difficile in Complex with Udp, Glc and Manganese Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1544 b:25.9 occ:1.00 O A:HOH2348 2.1 20.5 1.0 O1A A:UDP1545 2.1 22.9 1.0 OE1 A:GLU515 2.2 39.5 1.0 OD2 A:ASP288 2.2 34.0 1.0 O3B A:UDP1545 2.3 24.9 1.0 O A:HOH2347 2.3 28.5 1.0 CG A:ASP288 3.2 34.3 1.0 PB A:UDP1545 3.2 24.4 1.0 PA A:UDP1545 3.3 25.3 1.0 CD A:GLU515 3.4 38.0 1.0 OD1 A:ASP288 3.5 33.2 1.0 O2B A:UDP1545 3.6 23.5 1.0 O3A A:UDP1545 3.7 24.3 1.0 O A:HOH2350 3.8 24.8 1.0 OE2 A:GLU515 4.0 38.8 1.0 O2A A:UDP1545 4.0 23.9 1.0 O A:HOH2327 4.1 32.7 1.0 O A:HOH2349 4.1 26.0 1.0 OD2 A:ASP286 4.2 36.6 1.0 CA A:GLU515 4.2 37.9 1.0 O2 A:GLC1546 4.2 24.5 1.0 OE1 A:GLN385 4.3 45.9 1.0 O A:GLU515 4.3 38.3 1.0 CB A:GLU515 4.4 37.1 1.0 CG A:GLU515 4.5 36.9 1.0 CB A:ASP288 4.5 33.2 1.0 O5' A:UDP1545 4.6 27.5 1.0 O1B A:UDP1545 4.8 22.9 1.0 C A:GLU515 4.8 38.8 1.0 CG A:ASP286 4.9 36.6 1.0 CB A:ASP286 4.9 34.9 1.0 O A:HOH2352 4.9 34.0 1.0

D.J.Reinert, T.Jank, K.Aktories, G.E.Schulz. Structural Basis For the Function of Clostridium Difficile Toxin B. J.Mol.Biol. V. 351 973 2005.
ISSN: ISSN 0022-2836
PubMed: 16054646
DOI: 10.1016/J.JMB.2005.06.071