Manganese in PDB 5a5a: The Structure of GH101 E796Q Mutant From Streptococcus Pneumoniae TIGR4 in Complex with Pnp-T-Antigen

The structure of The Structure of GH101 E796Q Mutant From Streptococcus Pneumoniae TIGR4 in Complex with Pnp-T-Antigen, PDB code: 5a5a was solved by K.J.Gregg, M.D.L.Suits, L.Deng, D.J.Vocadlo, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.64 / 1.75
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.861, 121.618, 139.403, 90.00, 90.00, 90.00
R / Rfree (%)	14.73 / 17.401

The structure of The Structure of GH101 E796Q Mutant From Streptococcus Pneumoniae TIGR4 in Complex with Pnp-T-Antigen also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Manganese atom in the The Structure of GH101 E796Q Mutant From Streptococcus Pneumoniae TIGR4 in Complex with Pnp-T-Antigen (pdb code 5a5a). 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 The Structure of GH101 E796Q Mutant From Streptococcus Pneumoniae TIGR4 in Complex with Pnp-T-Antigen, PDB code: 5a5a:

Manganese binding site 1 out of 1 in the The Structure of GH101 E796Q Mutant From Streptococcus Pneumoniae TIGR4 in Complex with Pnp-T-Antigen


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Structure of GH101 E796Q Mutant From Streptococcus Pneumoniae TIGR4 in Complex with Pnp-T-Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn2428 b:11.4 occ:1.00 O A:HOH3647 2.2 10.0 1.0 OD2 A:ASP728 2.2 12.0 1.0 OE1 A:GLU703 2.2 13.3 1.0 O A:HOH3645 2.2 12.5 1.0 NE2 A:HIS1258 2.2 10.9 1.0 O A:HOH3559 2.2 12.2 1.0 CE1 A:HIS1258 3.1 11.2 1.0 CD A:GLU703 3.1 13.7 1.0 CG A:ASP728 3.2 12.3 1.0 CD2 A:HIS1258 3.2 10.2 1.0 OE2 A:GLU703 3.4 14.2 1.0 OD1 A:ASP728 3.5 11.9 1.0 O A:HOH3555 4.1 16.1 1.0 O A:HOH3646 4.2 14.0 1.0 O A:HOH3547 4.2 12.8 1.0 ND1 A:HIS1258 4.3 10.5 1.0 O A:HOH3642 4.3 12.7 1.0 CG A:HIS1258 4.3 10.8 1.0 O A:LEU1259 4.3 11.2 1.0 CA A:SER1260 4.4 11.7 1.0 CG A:GLU703 4.5 12.4 1.0 CB A:ASP728 4.5 11.1 1.0 N A:GLU1261 4.7 12.0 1.0 CB A:LEU727 4.8 11.7 1.0 CB A:GLU703 4.8 12.3 1.0 OG A:SER659 4.9 11.7 1.0 CB A:SER1260 5.0 11.8 1.0

K.J.Gregg, M.D.L.Suits, L.Deng, D.J.Vocadlo, A.B.Boraston. Structural Analysis of A Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into Its Mechanism. J.Biol.Chem. V. 290 25657 2015.
ISSN: ISSN 0021-9258
PubMed: 26304114
DOI: 10.1074/JBC.M115.680470