Manganese in PDB 6gx0: Blood Group Synthase Aaglyb in Complex with Udp-Gal and Cryoprotected with Peg 3350

The structure of Blood Group Synthase Aaglyb in Complex with Udp-Gal and Cryoprotected with Peg 3350, PDB code: 6gx0 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)	30.00 / 1.25
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.849, 148.920, 80.039, 90.00, 90.00, 90.00
R / Rfree (%)	12.2 / 15.1

The binding sites of Manganese atom in the Blood Group Synthase Aaglyb in Complex with Udp-Gal and Cryoprotected with Peg 3350 (pdb code 6gx0). 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 Udp-Gal and Cryoprotected with Peg 3350, PDB code: 6gx0:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Blood Group Synthase Aaglyb in Complex with Udp-Gal 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 Udp-Gal and Cryoprotected with Peg 3350 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:10.5 occ:0.60 MN A:MN401 0.0 10.5 0.6 O1B A:GDU402 2.0 17.5 0.6 MN A:MN401 2.1 10.7 0.4 O1A A:GDU402 2.1 13.0 0.6 O2B A:GDU402 2.1 16.5 0.4 OD2 A:ASP213 2.1 16.2 0.4 O1A A:GDU402 2.1 14.0 0.4 OD2 A:ASP213 2.1 12.1 0.6 O A:HOH513 2.1 19.3 1.0 O A:HOH767 2.2 18.9 1.0 CG A:ASP213 3.0 11.8 0.4 CG A:ASP213 3.1 9.8 0.6 PA A:GDU402 3.1 14.1 0.4 PB A:GDU402 3.1 15.2 0.6 PA A:GDU402 3.1 13.9 0.6 O A:HOH702 3.2 28.1 0.6 OD1 A:ASP213 3.3 14.6 0.4 OD1 A:ASP213 3.3 11.0 0.6 PB A:GDU402 3.3 15.7 0.4 O3A A:GDU402 3.3 13.9 0.6 O3A A:GDU402 3.5 14.4 0.4 O2A A:GDU402 3.7 17.0 0.4 O A:HOH688 4.0 31.4 1.0 O2A A:GDU402 4.0 17.2 0.6 O3B A:GDU402 4.0 11.2 0.6 O A:HOH648 4.1 28.0 1.0 OD2 A:ASP211 4.2 10.9 1.0 O2B A:GDU402 4.2 16.1 0.6 C1' A:GDU402 4.3 15.3 0.4 O5' A:GDU402 4.3 15.1 0.4 O3B A:GDU402 4.3 15.5 0.4 CB A:ASP213 4.3 10.6 0.4 O1B A:GDU402 4.4 16.0 0.4 O3D A:GDU402 4.4 10.3 0.6 CB A:ASP213 4.4 10.3 0.6 O3D A:GDU402 4.4 10.4 0.4 O5D A:GDU402 4.5 11.3 0.6 O5D A:GDU402 4.5 11.7 0.4 OH A:TYR126 4.8 16.6 1.0 CE2 A:TYR126 4.8 11.8 1.0 O A:HOH876 4.8 29.7 1.0 C5D A:GDU402 4.8 9.3 0.6 C5D A:GDU402 4.9 9.8 0.4 C3D A:GDU402 4.9 9.3 0.4 C3D A:GDU402 5.0 9.0 0.6

Manganese binding site 2 out of 2 in the Blood Group Synthase Aaglyb in Complex with Udp-Gal 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 Udp-Gal and Cryoprotected with Peg 3350 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:10.7 occ:0.40 MN A:MN401 0.0 10.7 0.4 O A:HOH702 1.6 28.1 0.6 MN A:MN401 2.1 10.5 0.6 OD2 A:ASP211 2.4 10.9 1.0 OD1 A:ASP213 2.4 11.0 0.6 OD1 A:ASP213 2.4 14.6 0.4 O1B A:GDU402 2.5 17.5 0.6 O1A A:GDU402 2.6 14.0 0.4 OD2 A:ASP213 2.7 16.2 0.4 O1A A:GDU402 2.7 13.0 0.6 OD2 A:ASP213 2.9 12.1 0.6 CG A:ASP213 2.9 11.8 0.4 O2B A:GDU402 3.0 16.5 0.4 CG A:ASP213 3.0 9.8 0.6 O A:HOH513 3.2 19.3 1.0 CG A:ASP211 3.3 8.1 1.0 CB A:ASP211 3.6 7.9 1.0 O3D A:GDU402 3.7 10.3 0.6 O3D A:GDU402 3.7 10.4 0.4 PB A:GDU402 3.7 15.2 0.6 O3B A:GDU402 3.8 11.2 0.6 O2' A:GDU402 3.9 10.8 0.6 PA A:GDU402 3.9 14.1 0.4 PB A:GDU402 4.0 15.7 0.4 PA A:GDU402 4.0 13.9 0.6 O3A A:GDU402 4.2 13.9 0.6 O A:HOH648 4.3 28.0 1.0 O A:HOH767 4.3 18.9 1.0 O A:HOH876 4.3 29.7 1.0 O3A A:GDU402 4.3 14.4 0.4 O1B A:GDU402 4.4 16.0 0.4 CB A:ASP213 4.4 10.6 0.4 C5D A:GDU402 4.5 9.3 0.6 OD1 A:ASP211 4.5 8.0 1.0 O A:HOH510 4.5 21.4 0.4 CB A:ASP213 4.5 10.3 0.6 C5D A:GDU402 4.5 9.8 0.4 C3D A:GDU402 4.6 9.3 0.4 C3D A:GDU402 4.6 9.0 0.6 C1' A:GDU402 4.7 10.1 0.6 O A:HOH721 4.8 33.8 1.0 O5D A:GDU402 4.8 11.3 0.6 SD A:MET214 4.8 11.8 1.0 C2' A:GDU402 4.8 10.2 0.6 O5D A:GDU402 4.8 11.7 0.4 O A:ASP213 4.9 10.2 0.4 C4D A:GDU402 5.0 8.9 0.6 C4D A:GDU402 5.0 9.3 0.4

J.Rocha, G.O.Batot, M.M.Palcic, C.Breton, A.Royant. Blood Group Synthase Aaglyb in Complex with Udp-Gal and Cryoprotected with Peg 3350 To Be Published.