Magnesium in PDB 3iie: 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis.

All present enzymatic activity of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis.:
1.1.1.267;

The structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis., PDB code: 3iie was solved by J.Osipiuk, R.Mulligan, J.Stam, W.F.Anderson, A.Joachimiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.21
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.460, 121.460, 86.923, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 24.1

The binding sites of Magnesium atom in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis. (pdb code 3iie). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis., PDB code: 3iie:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:46.3 occ:1.00 O A:HOH497 1.9 47.9 1.0 OE1 A:GLU231 2.0 36.9 1.0 OE1 A:GLU152 2.0 38.6 1.0 O A:HOH493 2.1 32.0 1.0 O A:HOH440 2.2 39.2 1.0 OD2 A:ASP150 2.2 37.7 1.0 CD A:GLU152 3.0 39.6 1.0 CD A:GLU231 3.1 37.7 1.0 CG A:ASP150 3.1 39.2 1.0 OD1 A:ASP150 3.2 41.9 1.0 OE2 A:GLU152 3.3 40.9 1.0 OE2 A:GLU231 3.6 40.2 1.0 O A:HOH413 3.8 48.6 1.0 O A:HOH409 4.0 42.2 1.0 O A:HOH449 4.2 48.1 1.0 ND2 A:ASN227 4.2 42.7 1.0 CG A:GLU231 4.3 36.5 1.0 CB A:SER151 4.3 36.5 1.0 OD1 A:ASN227 4.4 40.8 1.0 CG A:GLU152 4.5 35.8 1.0 N A:GLU152 4.5 32.9 1.0 CB A:ASP150 4.6 36.4 1.0 N A:SER151 4.6 36.4 1.0 NZ A:LYS228 4.6 36.7 1.0 CG A:ASN227 4.8 39.2 1.0 CB A:GLU152 4.9 32.3 1.0

Magnesium binding site 2 out of 3 in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:37.5 occ:1.00 O A:HOH495 1.9 33.8 1.0 OE1 A:GLN3 2.0 33.3 1.0 O A:HOH492 2.1 26.6 1.0 O A:HOH436 2.1 22.4 1.0 O A:HOH496 2.1 33.7 1.0 O A:HOH486 2.3 35.0 1.0 CD A:GLN3 3.1 33.3 1.0 CG A:GLN3 3.8 32.7 1.0 O A:ASP93 4.0 33.7 1.0 O A:MET1 4.2 36.0 1.0 NE2 A:GLN3 4.2 31.2 1.0 O A:HOH400 4.4 25.5 1.0 O A:HOH469 4.4 34.7 1.0 OD2 A:ASP95 4.4 35.3 1.0 CB A:GLN3 4.6 30.0 1.0 CB A:ASP93 4.8 33.2 1.0

Magnesium binding site 3 out of 3 in the 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:44.6 occ:1.00 OE2 B:GLU231 1.9 30.1 1.0 O B:HOH506 2.1 31.1 1.0 O B:HOH458 2.1 34.9 1.0 O B:HOH511 2.1 31.9 1.0 OE1 B:GLU152 2.2 32.5 1.0 OD2 B:ASP150 2.2 36.4 1.0 CD B:GLU231 3.0 36.6 1.0 CG B:ASP150 3.0 39.9 1.0 OD1 B:ASP150 3.1 43.2 1.0 CD B:GLU152 3.2 36.8 1.0 OE2 B:GLU152 3.5 38.2 1.0 OE1 B:GLU231 3.6 34.0 1.0 O B:HOH477 3.6 45.9 1.0 O B:HOH402 4.2 29.6 1.0 OD1 B:ASN227 4.2 50.1 1.0 CG B:GLU231 4.3 33.4 1.0 CB B:ASP150 4.5 35.0 1.0 CG B:GLU152 4.5 33.6 1.0 OG B:SER151 4.6 36.4 1.0 N B:GLU152 4.7 32.4 1.0 N B:SER151 4.7 33.9 1.0 NZ B:LYS228 4.7 30.5 1.0 CB B:GLU152 4.8 31.6 1.0

J.Osipiuk, R.Mulligan, J.Stam, W.F.Anderson, A.Joachimiak. X-Ray Crystal Structure of 1-Deoxy-D-Xylulose 5-Phosphate Reductoisomerase From Yersinia Pestis. To Be Published.