Manganese in PDB 5el9: A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (S)-C348, to 1.1A Resolution

All present enzymatic activity of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (S)-C348, to 1.1A Resolution:
4.2.1.19;

The structure of A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (S)-C348, to 1.1A Resolution, PDB code: 5el9 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)	45.98 / 1.10
Space group	P 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	112.620, 112.620, 112.620, 90.00, 90.00, 90.00
R / Rfree (%)	11.4 / 12.9

The binding sites of Manganese atom in the A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (S)-C348, to 1.1A Resolution (pdb code 5el9). 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, (S)-C348, to 1.1A Resolution, PDB code: 5el9:
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, (S)-C348, to 1.1A 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, (S)-C348, to 1.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:6.0 occ:1.00 O A:HOH536 2.2 6.9 1.0 N4 A:5DL303 2.2 6.5 1.0 C3 A:5DL303 3.2 7.1 1.0 C5 A:5DL303 3.3 6.8 1.0 N2 A:5DL303 4.4 7.1 1.0 N1 A:5DL303 4.4 6.0 1.0 O A:HOH579 4.7 25.4 1.0

Manganese binding site 2 out of 2 in the A. Thaliana IGPD2 in Complex with the Triazole-Phosphonate Inhibitor, (S)-C348, to 1.1A 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, (S)-C348, to 1.1A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:6.6 occ:1.00 N1 A:5DL303 2.3 6.0 1.0 O13 A:5DL303 2.3 8.6 1.0 N2 A:5DL303 3.2 7.1 1.0 C5 A:5DL303 3.3 6.8 1.0 C7 A:5DL303 3.5 7.6 1.0 C6 A:5DL303 3.6 7.2 1.0 C3 A:5DL303 4.4 7.1 1.0 N4 A:5DL303 4.4 6.5 1.0 C8 A:5DL303 4.5 7.3 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