Manganese in PDB 8uhz: X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with MN2+

All present enzymatic activity of X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with MN2+:
2.4.1.41;

The structure of X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with MN2+, PDB code: 8uhz 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)	29.66 / 2.55
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.627, 65.012, 166.633, 90, 90, 90
R / Rfree (%)	18 / 22.9

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

Manganese binding site 1 out of 3 in the X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with MN2+


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 MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn712 b:37.2 occ:1.00 O A:HOH801 2.2 36.8 1.0 OD2 A:ASP276 2.2 72.3 1.0 O A:HOH839 2.2 31.0 1.0 O A:HOH805 2.2 43.5 1.0 OD1 A:ASP276 2.3 45.3 1.0 NE2 A:HIS414 2.3 29.2 1.0 NE2 A:HIS278 2.3 23.9 1.0 CG A:ASP276 2.4 31.4 1.0 CE1 A:HIS278 3.2 29.6 1.0 CD2 A:HIS414 3.2 34.5 1.0 CE1 A:HIS414 3.2 35.8 1.0 CD2 A:HIS278 3.3 34.0 1.0 HE1 A:HIS278 3.3 35.5 1.0 HD2 A:HIS414 3.4 41.4 1.0 HE1 A:HIS414 3.4 42.9 1.0 HD2 A:HIS278 3.4 40.8 1.0 CB A:ASP276 3.7 36.3 1.0 HB3 A:ASP276 3.8 43.6 1.0 HB2 A:ASP276 4.1 43.6 1.0 ND1 A:HIS278 4.3 29.5 1.0 CG A:HIS278 4.3 35.5 1.0 ND1 A:HIS414 4.4 27.8 1.0 CG A:HIS414 4.4 28.4 1.0 H A:SER277 4.6 41.4 1.0 O A:HOH829 4.6 45.5 1.0 HA A:ASP276 4.8 50.7 1.0 HH21 A:ARG417 4.8 106.0 1.0 CA A:ASP276 4.9 42.3 1.0

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


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 MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn713 b:55.1 occ:1.00 OE2 A:GLU336 2.2 68.4 1.0 OE1 A:GLU336 2.2 81.5 1.0 O A:HOH868 2.2 32.8 1.0 O A:HOH850 2.2 46.1 1.0 CD A:GLU336 2.3 67.1 1.0 NE2 A:HIS333 2.3 48.2 1.0 HH21 A:ARG567 2.4 97.9 1.0 O2 A:GOL703 2.6 55.9 1.0 NH2 A:ARG567 3.0 81.6 1.0 HH22 A:ARG567 3.1 97.9 1.0 CE1 A:HIS333 3.2 36.0 1.0 CD2 A:HIS333 3.3 38.1 1.0 HE1 A:HIS333 3.3 43.1 1.0 HD2 A:HIS333 3.5 45.7 1.0 CG A:GLU336 3.5 58.2 1.0 H31 A:GOL703 3.6 83.8 1.0 HG3 A:GLU336 3.6 69.8 1.0 C2 A:GOL703 3.7 71.0 1.0 H2 A:GOL703 3.7 85.1 1.0 HG2 A:GLU336 3.8 69.8 1.0 O A:HOH881 3.9 54.8 1.0 C3 A:GOL703 4.2 69.9 1.0 CZ A:ARG567 4.3 69.8 1.0 ND1 A:HIS333 4.4 39.8 1.0 HE A:ARG567 4.4 87.3 1.0 OE1 A:GLU554 4.4 33.2 1.0 CG A:HIS333 4.4 29.1 1.0 HB3 A:GLU336 4.7 71.5 1.0 HO3 A:GOL703 4.8 67.7 1.0 H32 A:GOL703 4.8 83.8 1.0 NE A:ARG567 4.8 72.8 1.0 O A:CYS566 4.8 38.5 1.0 CB A:GLU336 4.8 59.6 1.0 HD21 A:LEU327 4.9 41.1 1.0

Manganese binding site 3 out of 3 in the X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn714 b:123.2 occ:1.00 O A:HOH922 2.2 47.3 1.0 O A:HOH864 2.2 60.5 1.0 O A:HOH902 2.2 59.1 1.0 ND1 A:HIS523 2.2 52.8 1.0 O A:HOH898 2.2 61.2 1.0 HB2 A:HIS523 2.3 72.2 1.0 CG A:HIS523 2.9 78.3 1.0 CB A:HIS523 3.0 60.2 1.0 H A:HIS523 3.3 70.7 1.0 CE1 A:HIS523 3.3 43.9 1.0 HB3 A:HIS523 3.6 72.2 1.0 HE1 A:HIS523 3.6 52.6 1.0 O A:LEU563 3.6 30.4 1.0 O A:PRO521 3.9 91.5 1.0 HZ3 A:TRP518 3.9 59.6 1.0 N A:HIS523 3.9 58.9 1.0 CD2 A:HIS523 4.1 99.7 1.0 CA A:HIS523 4.1 45.4 1.0 NE2 A:HIS523 4.2 75.3 1.0 HA A:ASP564 4.3 38.5 1.0 HA A:HIS523 4.7 54.5 1.0 CZ3 A:TRP518 4.7 49.7 1.0 C A:LEU563 4.8 37.5 1.0 HD2 A:HIS523 4.8 119.6 1.0 OD1 A:ASP564 4.9 42.1 1.0 HD2 A:ARG562 4.9 51.8 0.5 HB3 A:ARG562 4.9 47.9 0.5 HB3 A:ARG562 4.9 47.9 0.5 HD3 A:ARG562 4.9 51.8 0.5 HA2 A:GLY522 4.9 90.0 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