Manganese in PDB 5elw: A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution

All present enzymatic activity of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution:
4.2.1.19;

The structure of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution, PDB code: 5elw was solved by C.Bisson, K.L.Britton, S.E.Sedelnikova, H.F.Rodgers, T.C.Eadsforth, R.C.Viner, T.R.Hawkes, P.J.Baker, D.W.Rice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.96 / 1.40
Space group	P 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	112.580, 112.580, 112.580, 90.00, 90.00, 90.00
R / Rfree (%)	11.7 / 13.1

The structure of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution (pdb code 5elw). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution, PDB code: 5elw:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:7.0 occ:1.00 O A:HOH538 2.2 7.8 1.0 N4 A:5LD303 2.2 7.2 1.0 C3 A:5LD303 3.2 7.5 1.0 C5 A:5LD303 3.3 7.7 1.0 N2 A:5LD303 4.3 7.0 1.0 N1 A:5LD303 4.4 6.9 1.0

Manganese binding site 2 out of 2 in the A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (R)-C348, to 1.36A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:7.2 occ:1.00 O13 A:5LD303 2.3 9.2 1.0 N1 A:5LD303 2.3 6.9 1.0 C5 A:5LD303 3.3 7.7 1.0 C7 A:5LD303 3.3 7.2 1.0 N2 A:5LD303 3.4 7.0 1.0 C6 A:5LD303 3.7 7.5 1.0 N4 A:5LD303 4.5 7.2 1.0 C3 A:5LD303 4.5 7.5 1.0 C8 A:5LD303 4.6 7.5 1.0

C.Bisson, K.L.Britton, S.E.Sedelnikova, H.F.Rodgers, T.C.Eadsforth, R.C.Viner, T.R.Hawkes, P.J.Baker, D.W.Rice. Mirror-Image Packing Provides A Molecular Basis For the Nanomolar Equipotency of Enantiomers of An Experimental Herbicide. Angew.Chem.Int.Ed.Engl. V. 55 13485 2016.
ISSN: ESSN 1521-3773
PubMed: 27717128
DOI: 10.1002/ANIE.201607185