Manganese in PDB 4mu0: The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and 1,2,4- Triazole at 1.3 A Resolution

All present enzymatic activity of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and 1,2,4- Triazole at 1.3 A Resolution:
4.2.1.19;

The structure of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and 1,2,4- Triazole at 1.3 A Resolution, PDB code: 4mu0 was solved by C.Bisson, K.L.Britton, S.E.Sedelnikova, 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)	50.59 / 1.30
Space group	P 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	113.130, 113.130, 113.130, 90.00, 90.00, 90.00
R / Rfree (%)	13 / 14.8

The structure of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and 1,2,4- Triazole at 1.3 A Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and 1,2,4- Triazole at 1.3 A Resolution (pdb code 4mu0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and 1,2,4- Triazole at 1.3 A Resolution, PDB code: 4mu0:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and 1,2,4- Triazole at 1.3 A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and 1,2,4- Triazole at 1.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:9.4 occ:1.00 N1 A:TRI303 2.3 9.3 1.0 O A:HOH404 2.3 11.3 1.0 NE2 A:HIS74 2.3 9.7 1.0 CE1 A:HIS74 3.2 9.8 1.0 N2 A:TRI303 3.2 12.0 1.0 C5 A:TRI303 3.3 11.0 1.0 CD2 A:HIS74 3.4 8.8 1.0 ND1 A:HIS74 4.3 10.8 1.0 C3 A:TRI303 4.4 11.2 1.0 N4 A:TRI303 4.4 9.0 1.0 CG A:HIS74 4.5 8.9 1.0

Manganese binding site 2 out of 2 in the The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and 1,2,4- Triazole at 1.3 A Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Structure of Wt A. Thaliana IGPD2 in Complex with MN2+ and 1,2,4- Triazole at 1.3 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:8.1 occ:1.00 O A:HOH401 2.2 9.3 1.0 N4 A:TRI303 2.3 9.0 1.0 NE2 A:HIS73 2.3 8.4 1.0 OE1 A:GLU77 2.3 8.3 1.0 NE2 A:HIS145 2.3 8.7 1.0 C3 A:TRI303 3.2 11.2 1.0 CE1 A:HIS73 3.2 9.1 1.0 CD2 A:HIS145 3.2 8.6 1.0 CD2 A:HIS73 3.2 8.0 1.0 C5 A:TRI303 3.2 11.0 1.0 CD A:GLU77 3.2 8.2 1.0 CE1 A:HIS145 3.3 8.5 1.0 OE2 A:GLU77 3.6 8.8 1.0 ND1 A:HIS73 4.3 8.8 1.0 ND1 A:HIS145 4.4 8.8 1.0 N1 A:TRI303 4.4 9.3 1.0 CG A:HIS145 4.4 7.8 1.0 N2 A:TRI303 4.4 12.0 1.0 CG A:HIS73 4.4 7.4 1.0 CG A:GLU77 4.5 8.6 1.0 CB A:GLU77 4.8 8.5 1.0 O A:HOH402 4.9 9.7 1.0

C.Bisson, K.L.Britton, S.E.Sedelnikova, H.F.Rodgers, T.C.Eadsforth, R.Viner, T.R.Hawkes, P.J.Baker, D.W.Rice. A New Role For Metal Ions in Enzyme Catalysis To Be Published.