Manganese in PDB 8uje: X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and MUC5AC-3,13

All present enzymatic activity of X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and MUC5AC-3,13:
2.4.1.41;

The structure of X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and MUC5AC-3,13, PDB code: 8uje was solved by P.Kumar, N.L.Samara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 2.50
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.409, 65.986, 166.671, 90, 90, 90
R / Rfree (%)	18.2 / 23

The binding sites of Manganese atom in the X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and MUC5AC-3,13 (pdb code 8uje). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and MUC5AC-3,13, PDB code: 8uje:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and MUC5AC-3,13


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and MUC5AC-3,13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn802 b:47.9 occ:1.00 OD2 A:ASP276 2.2 70.5 1.0 O A:HOH903 2.2 54.4 1.0 NE2 A:HIS414 2.2 54.5 1.0 NE2 A:HIS278 2.3 59.8 1.0 O2B A:UDP801 2.5 67.8 0.8 O1A A:UDP801 2.6 70.9 0.8 O3B A:UDP801 2.9 95.9 0.8 PB A:UDP801 3.0 97.3 0.8 CE1 A:HIS414 3.1 54.4 1.0 HE1 A:HIS414 3.1 65.3 1.0 CE1 A:HIS278 3.1 65.8 1.0 HE1 A:HIS278 3.2 79.0 1.0 O3A A:UDP801 3.3 77.0 0.8 CD2 A:HIS414 3.3 57.7 1.0 CG A:ASP276 3.4 71.5 1.0 CD2 A:HIS278 3.4 54.9 1.0 PA A:UDP801 3.5 65.8 0.8 HD2 A:HIS278 3.6 65.9 1.0 HD2 A:HIS414 3.6 69.3 1.0 H5'2 A:UDP801 3.6 77.6 0.8 H3' A:UDP801 4.0 73.9 0.8 CB A:ASP276 4.0 51.3 1.0 ND1 A:HIS414 4.2 51.1 1.0 OD1 A:ASP276 4.3 87.4 1.0 ND1 A:HIS278 4.3 62.0 1.0 CG A:HIS414 4.4 60.8 1.0 C5' A:UDP801 4.4 64.7 0.8 CG A:HIS278 4.5 59.2 1.0 O5' A:UDP801 4.5 65.7 0.8 O A:HOH942 4.5 51.0 1.0 O1B A:UDP801 4.5 84.0 0.8 O2A A:UDP801 4.7 73.3 0.8 HH11 A:ARG417 4.7 90.0 1.0 C3' A:UDP801 4.9 61.6 0.8 HH12 A:ARG417 4.9 90.0 1.0 O A:ILE415 4.9 64.5 1.0 HD1 A:HIS414 5.0 61.3 1.0

Manganese binding site 2 out of 2 in the X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and MUC5AC-3,13


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and MUC5AC-3,13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn803 b:50.2 occ:0.38 OE2 A:GLU336 2.1 100.4 1.0 CD A:GLU336 2.2 83.5 1.0 OE1 A:GLU336 2.2 81.4 1.0 O A:HOH920 2.2 41.3 1.0 O A:HOH925 2.2 59.9 1.0 O A:HOH901 2.2 63.3 1.0 O A:HOH905 2.2 50.0 1.0 NE2 A:HIS333 2.3 61.3 1.0 HH12 A:ARG567 2.6 122.4 1.0 CD2 A:HIS333 3.2 54.7 1.0 NH1 A:ARG567 3.2 102.0 1.0 HH11 A:ARG567 3.2 122.4 1.0 HG2 A:GLU336 3.3 76.1 1.0 HD2 A:HIS333 3.3 65.6 1.0 CG A:GLU336 3.3 63.4 1.0 CE1 A:HIS333 3.4 51.0 1.0 HE1 A:HIS333 3.6 61.2 1.0 HG3 A:GLU336 3.6 76.1 1.0 CG A:HIS333 4.4 50.3 1.0 ND1 A:HIS333 4.4 53.5 1.0 CZ A:ARG567 4.5 105.4 1.0 HH22 A:ARG567 4.5 122.2 1.0 CB A:GLU336 4.6 66.5 1.0 HB3 A:GLU336 4.6 79.8 1.0 O A:SER334 4.8 49.1 1.0 HA A:GLU336 4.8 70.4 1.0 NH2 A:ARG567 4.9 101.8 1.0 HD21 A:LEU327 4.9 55.4 1.0 O A:CYS566 5.0 55.0 1.0

P.Kumar, T.Tomita, T.A.Gerken, C.J.Ballard, Y.S.Lee, L.M.Weiss, N.L.Samara. A Toxoplasma Gondii O-Glycosyltransferase That Modulates Bradyzoite Cyst Wall Rigidity Is Distinct From Host Homologues Nat Commun V. 15 3792 2024.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-024-48253-W