Manganese in PDB 6gx1: Blood Group Synthase Aaglyb in Complex with Udp-Galnac and Cryoprotected with Peg 3350

The structure of Blood Group Synthase Aaglyb in Complex with Udp-Galnac and Cryoprotected with Peg 3350, PDB code: 6gx1 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)	40.00 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.635, 148.386, 79.816, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.8

The binding sites of Manganese atom in the Blood Group Synthase Aaglyb in Complex with Udp-Galnac and Cryoprotected with Peg 3350 (pdb code 6gx1). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Blood Group Synthase Aaglyb in Complex with Udp-Galnac and Cryoprotected with Peg 3350, PDB code: 6gx1:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Blood Group Synthase Aaglyb in Complex with Udp-Galnac 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-Galnac and Cryoprotected with Peg 3350 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:10.9 occ:0.40 MN A:MN401 0.0 10.9 0.4 O3B A:UDP403 1.3 18.4 0.4 MN A:MN401 1.6 10.2 0.2 O A:HOH501 1.9 12.2 0.6 O1A A:UDP403 1.9 14.2 0.4 O1A A:UD2402 2.0 16.3 0.6 O1B A:UD2402 2.1 19.6 0.6 PA A:UDP403 2.2 15.0 0.4 MN A:MN401 2.2 11.8 0.3 PB A:UDP403 2.2 16.7 0.4 O A:HOH503 2.3 26.1 1.0 OD2 A:ASP213 2.3 18.8 1.0 O3A A:UDP403 2.4 16.1 0.4 O2A A:UDP403 2.6 14.3 0.4 O2B A:UDP403 3.1 16.8 0.4 PA A:UD2402 3.2 16.9 0.6 CG A:ASP213 3.2 14.9 1.0 PB A:UD2402 3.3 20.8 0.6 OD1 A:ASP213 3.4 15.9 1.0 O1B A:UDP403 3.5 19.4 0.4 O A:HOH690 3.5 19.5 0.6 O3A A:UD2402 3.6 18.7 0.6 O5' A:UDP403 3.8 14.3 0.4 O A:HOH753 4.0 16.9 0.6 O2A A:UD2402 4.0 18.5 0.6 O A:HOH595 4.0 30.4 1.0 OD2 A:ASP211 4.2 12.6 1.0 O3B A:UD2402 4.3 11.7 0.6 O2B A:UD2402 4.3 20.2 0.6 O5' A:UD2402 4.3 23.5 0.6 O1' A:UD2402 4.3 22.8 0.6 C1' A:UD2402 4.4 24.0 0.6 O5B A:UD2402 4.5 15.3 0.6 O3' A:UDP403 4.5 12.9 0.4 O A:HOH753 4.5 16.5 0.4 C5' A:UDP403 4.5 13.5 0.4 CB A:ASP213 4.6 13.7 1.0 OH A:TYR126 4.6 16.3 1.0 C5B A:UD2402 4.7 13.3 0.6 CE2 A:TYR126 4.7 13.8 1.0 O6' A:UD2402 4.8 24.5 0.6 C3B A:UD2402 4.8 11.6 0.6 C3' A:UDP403 4.8 12.7 0.4

Manganese binding site 2 out of 3 in the Blood Group Synthase Aaglyb in Complex with Udp-Galnac 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-Galnac and Cryoprotected with Peg 3350 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:11.8 occ:0.35 MN A:MN401 0.0 11.8 0.3 MN A:MN401 1.5 10.2 0.2 O A:HOH690 1.7 19.5 0.6 O3B A:UDP403 2.1 18.4 0.4 O1A A:UDP403 2.1 14.2 0.4 MN A:MN401 2.2 10.9 0.4 OD2 A:ASP211 2.4 12.6 1.0 OD1 A:ASP213 2.4 15.9 1.0 O1A A:UD2402 2.9 16.3 0.6 O A:HOH501 3.0 12.2 0.6 OD2 A:ASP213 3.0 18.8 1.0 PB A:UDP403 3.1 16.7 0.4 CG A:ASP213 3.1 14.9 1.0 O1B A:UD2402 3.1 19.6 0.6 PA A:UDP403 3.2 15.0 0.4 O3A A:UDP403 3.3 16.1 0.4 CG A:ASP211 3.3 11.5 1.0 O1B A:UDP403 3.5 19.4 0.4 CB A:ASP211 3.6 10.7 1.0 O3B A:UD2402 3.7 11.7 0.6 O3' A:UDP403 3.7 12.9 0.4 O A:HOH753 3.8 16.9 0.6 PB A:UD2402 4.2 20.8 0.6 PA A:UD2402 4.3 16.9 0.6 O2A A:UDP403 4.3 14.3 0.4 O5' A:UDP403 4.3 14.3 0.4 C5' A:UDP403 4.4 13.5 0.4 O A:HOH601 4.4 24.9 1.0 O A:HOH503 4.5 26.1 1.0 O2B A:UDP403 4.5 16.8 0.4 OD1 A:ASP211 4.5 11.8 1.0 C5B A:UD2402 4.5 13.3 0.6 O2B A:UD2402 4.5 20.2 0.6 C3' A:UDP403 4.6 12.7 0.4 CB A:ASP213 4.6 13.7 1.0 C3B A:UD2402 4.6 11.6 0.6 O3A A:UD2402 4.7 18.7 0.6 SD A:MET214 4.7 13.7 1.0 O A:HOH753 4.7 16.5 0.4 C4' A:UDP403 4.9 13.1 0.4 C4B A:UD2402 4.9 12.3 0.6 O5B A:UD2402 4.9 15.3 0.6 CA A:ASP211 5.0 10.5 1.0

Manganese binding site 3 out of 3 in the Blood Group Synthase Aaglyb in Complex with Udp-Galnac 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 3 of Blood Group Synthase Aaglyb in Complex with Udp-Galnac and Cryoprotected with Peg 3350 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:10.2 occ:0.25 MN A:MN401 0.0 10.2 0.2 MN A:MN401 1.5 11.8 0.3 MN A:MN401 1.6 10.9 0.4 OD2 A:ASP213 1.8 18.8 1.0 O3B A:UDP403 1.9 18.4 0.4 O A:HOH501 2.0 12.2 0.6 OD1 A:ASP213 2.1 15.9 1.0 CG A:ASP213 2.2 14.9 1.0 O A:HOH690 2.4 19.5 0.6 O1A A:UDP403 2.4 14.2 0.4 O A:HOH753 2.7 16.9 0.6 O1A A:UD2402 3.1 16.3 0.6 O1B A:UD2402 3.3 19.6 0.6 PB A:UDP403 3.3 16.7 0.4 O A:HOH753 3.4 16.5 0.4 PA A:UDP403 3.4 15.0 0.4 O A:HOH503 3.6 26.1 1.0 CB A:ASP213 3.6 13.7 1.0 O3A A:UDP403 3.7 16.1 0.4 OD2 A:ASP211 3.9 12.6 1.0 O2A A:UDP403 4.0 14.3 0.4 O3B A:UD2402 4.1 11.7 0.6 O A:HOH595 4.2 30.4 1.0 O A:ASP213 4.2 12.0 1.0 O1B A:UDP403 4.2 19.4 0.4 O3' A:UDP403 4.3 12.9 0.4 O2B A:UDP403 4.3 16.8 0.4 PA A:UD2402 4.5 16.9 0.6 CA A:ASP213 4.6 12.3 1.0 PB A:UD2402 4.6 20.8 0.6 CB A:ASP211 4.7 10.7 1.0 C A:ASP213 4.7 11.8 1.0 CG A:ASP211 4.7 11.5 1.0 SD A:MET214 4.8 13.7 1.0 N A:ASP213 4.8 11.0 1.0 O5' A:UDP403 4.8 14.3 0.4

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