Manganese in PDB 5m79: Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Glycerol

All present enzymatic activity of Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Glycerol:
2.4.1.37; 2.4.1.40;

The structure of Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Glycerol, PDB code: 5m79 was solved by J.Rocha, A.Royant, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.08 / 1.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.606, 148.717, 79.530, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 16.1

The binding sites of Manganese atom in the Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Glycerol (pdb code 5m79). 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 Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Glycerol, PDB code: 5m79:

Manganese binding site 1 out of 1 in the Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Glycerol


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:17.1 occ:0.80 O A:HOH520 2.2 21.9 1.0 O A:HOH539 2.2 22.1 1.0 O1P A:U5P402 2.2 15.5 0.8 OD1 A:ASP213 2.2 15.2 1.0 OD2 A:ASP211 2.3 13.9 1.0 OD2 A:ASP213 2.6 17.6 1.0 CG A:ASP213 2.8 14.7 1.0 HB3 A:ASP211 3.1 10.5 1.0 CG A:ASP211 3.3 10.8 1.0 HZ2 A:LYS346 3.4 27.4 0.4 HO3' A:U5P402 3.4 12.2 0.8 P A:U5P402 3.5 15.7 0.8 O A:HOH517 3.6 22.9 1.0 H5'1 A:U5P402 3.6 13.2 0.8 CB A:ASP211 3.6 8.7 1.0 O3' A:U5P402 3.7 10.2 0.8 O3P A:U5P402 3.7 16.4 0.8 HB2 A:ASP211 3.9 10.5 1.0 HZ1 A:LYS346 4.0 27.4 0.4 NZ A:LYS346 4.1 22.8 0.4 H A:ASP213 4.2 11.7 1.0 CB A:ASP213 4.3 12.0 1.0 O2 A:GOL405 4.3 34.4 0.7 O2 A:GOL405 4.3 26.3 0.3 OD1 A:ASP211 4.3 11.2 1.0 HZ3 A:LYS346 4.4 27.4 0.4 C5' A:U5P402 4.4 11.0 0.8 H3' A:U5P402 4.5 11.8 0.8 O5' A:U5P402 4.5 12.9 0.8 O2P A:U5P402 4.5 18.5 0.8 C3' A:U5P402 4.5 9.8 0.8 HB2 A:ALA268 4.6 10.2 1.0 HG2 A:MET214 4.6 12.8 1.0 HE2 A:TYR126 4.6 18.8 1.0 HB3 A:ASP213 4.6 14.3 1.0 O A:HOH696 4.7 17.4 1.0 HB2 A:ASP213 4.7 14.3 1.0 H2 A:GOL405 4.8 40.6 0.7 O A:HOH601 4.9 25.5 1.0 HO2 A:GOL405 4.9 41.2 0.7 HO2 A:GOL405 4.9 31.5 0.3 HB1 A:ALA268 4.9 10.2 1.0 C4' A:U5P402 4.9 10.3 0.8 N A:ASP213 4.9 9.8 1.0 SD A:MET214 4.9 11.6 1.0 H2 A:GOL405 5.0 30.9 0.3 CA A:ASP211 5.0 7.7 1.0 O A:ASP213 5.0 10.9 1.0

J.Rocha, G.O.Batot, M.M.Palcic, C.Breton, A.Royant. Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Glycerol To Be Published.