Manganese in PDB 5m7a: Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Peg 3350

All present enzymatic activity of Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Peg 3350:
2.4.1.37; 2.4.1.40;

The structure of Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Peg 3350, PDB code: 5m7a 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)	37.42 / 1.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.853, 149.684, 79.835, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 18.1

The binding sites of Manganese atom in the Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Peg 3350 (pdb code 5m7a). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Peg 3350, PDB code: 5m7a:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Peg 3350


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 Peg 3350 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:19.8 occ:0.55 MN A:MN401 0.0 19.8 0.6 O1P A:U5P402 2.0 25.1 1.0 O A:HOH710 2.1 18.4 0.5 MN A:MN401 2.1 20.9 0.5 O A:HOH643 2.2 25.0 0.5 OD2 A:ASP213 2.2 19.9 1.0 O A:HOH670 2.3 28.0 1.0 P A:U5P402 3.1 25.4 1.0 CG A:ASP213 3.1 16.7 1.0 OD1 A:ASP213 3.3 18.7 1.0 O3P A:U5P402 3.4 26.4 1.0 HH A:TYR126 3.7 33.6 1.0 O2P A:U5P402 3.7 33.0 1.0 HE1 A:TYR126 3.9 24.1 1.0 HO3' A:U5P402 4.0 22.7 1.0 O A:HOH678 4.1 29.5 1.0 OD2 A:ASP211 4.2 17.0 1.0 O A:HOH664 4.2 35.8 1.0 O3' A:U5P402 4.3 18.9 1.0 H5'1 A:U5P402 4.4 24.2 1.0 H3' A:U5P402 4.4 19.6 1.0 CB A:ASP213 4.5 14.4 1.0 O5' A:U5P402 4.5 23.4 1.0 OH A:TYR126 4.6 28.0 1.0 HB2 A:ASP213 4.7 17.3 1.0 CE1 A:TYR126 4.7 20.1 1.0 HB3 A:ASP213 4.7 17.3 1.0 HB3 A:ASP211 4.8 14.3 1.0 C3' A:U5P402 4.9 16.3 1.0 O A:HOH737 4.9 26.3 0.5 C5' A:U5P402 4.9 20.1 1.0

Manganese binding site 2 out of 2 in the Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Peg 3350


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Blood Group Synthase Aaglyb in Complex with Ump and Cryoprotected with Peg 3350 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:20.9 occ:0.45 MN A:MN401 0.0 20.9 0.5 MN A:MN401 2.1 19.8 0.6 OD2 A:ASP211 2.4 17.0 1.0 O1P A:U5P402 2.5 25.1 1.0 OD1 A:ASP213 2.5 18.7 1.0 O A:HOH643 2.9 25.0 0.5 OD2 A:ASP213 3.0 19.9 1.0 HB3 A:ASP211 3.0 14.3 1.0 CG A:ASP213 3.1 16.7 1.0 CG A:ASP211 3.3 13.5 1.0 O A:HOH670 3.4 28.0 1.0 CB A:ASP211 3.5 11.9 1.0 O3' A:U5P402 3.7 18.9 1.0 HO3' A:U5P402 3.7 22.7 1.0 H5'1 A:U5P402 3.7 24.2 1.0 HB2 A:ASP211 3.7 14.3 1.0 P A:U5P402 3.9 25.4 1.0 O3P A:U5P402 4.2 26.4 1.0 O A:HOH591 4.2 30.4 1.0 O A:HOH710 4.2 18.4 0.5 HB2 A:ALA268 4.3 15.5 1.0 H A:ASP213 4.4 14.5 1.0 OD1 A:ASP211 4.4 15.5 1.0 C5' A:U5P402 4.5 20.1 1.0 O A:HOH664 4.6 35.8 1.0 HG2 A:MET214 4.6 16.1 1.0 HB1 A:ALA268 4.6 15.5 1.0 C3' A:U5P402 4.6 16.3 1.0 CB A:ASP213 4.6 14.4 1.0 H3' A:U5P402 4.7 19.6 1.0 O A:HOH796 4.7 42.1 1.0 O5' A:U5P402 4.8 23.4 1.0 HE1 A:TYR126 4.9 24.1 1.0 CB A:ALA268 4.9 12.9 1.0 C4' A:U5P402 4.9 17.4 1.0 CA A:ASP211 5.0 10.7 1.0 SD A:MET214 5.0 15.5 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 Peg 3350 To Be Published.