Manganese in PDB 8ujh: X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and A CST1 Diglycopeptide.

All present enzymatic activity of X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and A CST1 Diglycopeptide.:
2.4.1.41; 3.4.21.72;

The structure of X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and A CST1 Diglycopeptide., PDB code: 8ujh 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)	29.74 / 2.65
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.722, 66.833, 166.047, 90, 90, 90
R / Rfree (%)	19 / 23.4

The binding sites of Manganese atom in the X-Ray Crystal Structure of Toxoplasma Gondii Galnac-T3 in Complex with Udp-Galnac, MN2+, and A CST1 Diglycopeptide. (pdb code 8ujh). 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 A CST1 Diglycopeptide., PDB code: 8ujh:
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 A CST1 Diglycopeptide.


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 A CST1 Diglycopeptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn703 b:39.2 occ:1.00 O1B A:UDP701 2.0 98.9 0.5 O2B A:UDP701 2.0 92.7 1.0 OD2 A:ASP276 2.0 69.9 1.0 O A:HOH801 2.2 56.8 1.0 NE2 A:HIS278 2.2 40.8 1.0 NE2 A:HIS414 2.3 44.5 1.0 PB A:UDP701 2.5 117.0 1.0 O1A A:UDP701 2.6 70.6 1.0 CE1 A:HIS278 3.0 47.2 1.0 HE1 A:HIS278 3.1 56.6 1.0 CE1 A:HIS414 3.1 39.5 1.0 CG A:ASP276 3.2 66.3 1.0 O3A A:UDP701 3.2 72.0 1.0 HE1 A:HIS414 3.2 47.4 1.0 CD2 A:HIS414 3.3 40.8 1.0 CD2 A:HIS278 3.4 38.5 1.0 HB3 A:ASP276 3.4 58.3 1.0 H5'1 A:UDP701 3.5 69.8 1.0 PA A:UDP701 3.5 50.8 1.0 HD2 A:HIS414 3.5 49.0 1.0 HD2 A:HIS278 3.6 46.2 1.0 CB A:ASP276 3.8 48.6 1.0 O3B A:UDP701 3.8 94.6 1.0 HB2 A:ASP276 4.0 58.3 1.0 H3' A:UDP701 4.2 52.1 1.0 OD1 A:ASP276 4.2 74.5 1.0 ND1 A:HIS278 4.2 40.1 1.0 ND1 A:HIS414 4.3 40.2 1.0 C5' A:UDP701 4.3 58.2 1.0 CG A:HIS278 4.4 40.4 1.0 CG A:HIS414 4.4 35.1 1.0 O5' A:UDP701 4.4 57.4 1.0 O A:ILE415 4.5 45.4 1.0 O A:HOH813 4.6 56.5 1.0 O2A A:UDP701 4.7 72.8 1.0 HH21 A:ARG417 4.7 69.5 1.0 H5'2 A:UDP701 4.9 69.8 1.0 HD1 A:HIS278 5.0 48.1 1.0 HE A:ARG417 5.0 78.8 1.0 C3' A:UDP701 5.0 43.4 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 A CST1 Diglycopeptide.


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 A CST1 Diglycopeptide. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn704 b:48.4 occ:0.40 CD A:GLU336 2.1 74.2 1.0 OE2 A:GLU336 2.1 74.7 1.0 O A:HOH817 2.2 51.0 1.0 O A:HOH818 2.2 63.4 1.0 OE1 A:GLU336 2.2 81.8 1.0 O A:HOH802 2.2 50.7 1.0 NE2 A:HIS333 2.3 51.0 1.0 CE1 A:HIS333 3.1 45.8 1.0 CG A:GLU336 3.1 59.1 1.0 HG3 A:GLU336 3.2 71.0 1.0 HE1 A:HIS333 3.2 54.9 1.0 CD2 A:HIS333 3.3 45.2 1.0 HG2 A:GLU336 3.3 71.0 1.0 HD2 A:HIS333 3.5 54.3 1.0 HD21 A:LEU327 3.7 48.9 1.0 ND1 A:HIS333 4.2 43.0 1.0 HH11 A:ARG567 4.3 92.3 1.0 O A:CYS566 4.3 66.2 1.0 CG A:HIS333 4.3 37.3 1.0 HG2 A:GLU554 4.3 56.4 1.0 HH12 A:ARG567 4.5 92.3 1.0 CB A:GLU336 4.5 51.4 1.0 HB3 A:GLU336 4.6 61.6 1.0 NH1 A:ARG567 4.6 76.9 1.0 CD2 A:LEU327 4.7 40.8 1.0 HB2 A:CYS566 4.7 67.1 1.0 OE1 A:GLU554 4.7 50.4 1.0 HE1 A:HIS338 4.8 51.3 1.0 HB2 A:GLU336 4.8 61.6 1.0 HD1 A:HIS333 4.9 51.6 1.0 HD23 A:LEU327 5.0 48.9 1.0 HD22 A:LEU327 5.0 48.9 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