Magnesium in PDB 1ymq: Had Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of the Had Subclass Iib Sugar Phosphatase BT4131

The structure of Had Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of the Had Subclass Iib Sugar Phosphatase BT4131, PDB code: 1ymq was solved by Z.Lu, D.Dunaway-Mariano, K.N.Allen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.05 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.353, 55.741, 94.801, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21

The binding sites of Magnesium atom in the Had Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of the Had Subclass Iib Sugar Phosphatase BT4131 (pdb code 1ymq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Had Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of the Had Subclass Iib Sugar Phosphatase BT4131, PDB code: 1ymq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Had Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of the Had Subclass Iib Sugar Phosphatase BT4131


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Had Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of the Had Subclass Iib Sugar Phosphatase BT4131 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg262 b:11.0 occ:1.00 OD1 A:ASP8 2.2 24.0 1.0 O A:ASP10 2.3 17.6 1.0 O2 A:SO4301 2.3 37.5 1.0 OD1 A:ASP211 2.3 21.9 1.0 O A:HOH316 2.3 27.3 1.0 O A:HOH311 2.4 24.4 1.0 CG A:ASP8 3.1 26.3 1.0 CG A:ASP211 3.3 20.8 1.0 C A:ASP10 3.4 17.8 1.0 OD2 A:ASP8 3.4 25.4 1.0 OD2 A:ASP211 3.6 21.1 1.0 S A:SO4301 3.7 48.6 1.0 OD2 A:ASP215 4.0 12.8 1.0 CA A:ASP10 4.1 20.1 1.0 O4 A:SO4301 4.2 24.0 1.0 N A:ASP10 4.2 15.7 1.0 CB A:ASP10 4.2 24.6 1.0 O1 A:SO4301 4.3 27.9 1.0 CB A:ASP8 4.4 17.0 1.0 N A:GLY212 4.5 16.1 1.0 N A:GLY11 4.5 14.9 1.0 OG1 A:THR12 4.5 15.0 1.0 CB A:ASP211 4.7 16.1 1.0 CA A:GLY11 4.7 16.1 1.0 N A:ASP211 4.7 12.9 1.0 O3 A:SO4301 4.8 43.2 1.0 CA A:GLY212 4.9 19.1 1.0 C A:ASP211 4.9 16.0 1.0 CG A:TRP174 4.9 44.7 1.0 OD1 A:ASN214 4.9 27.9 1.0 C A:ILE9 5.0 17.2 1.0

Magnesium binding site 2 out of 2 in the Had Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of the Had Subclass Iib Sugar Phosphatase BT4131


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Had Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of the Had Subclass Iib Sugar Phosphatase BT4131 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg263 b:12.8 occ:1.00 O A:ALA222 2.6 17.9 1.0 O A:LEU219 2.7 13.6 1.0 O A:HOH451 2.7 52.6 1.0 OD2 A:ASP240 2.8 21.8 1.0 O A:ARG220 2.9 14.7 1.0 O A:HOH333 2.9 23.6 1.0 C A:ARG220 3.4 20.3 1.0 CG A:ASP240 3.7 24.8 1.0 CA A:ARG220 3.7 17.5 1.0 OD1 A:ASP240 3.8 27.2 1.0 C A:ALA222 3.8 16.5 1.0 C A:LEU219 3.8 14.0 1.0 N A:GLY225 4.0 13.4 1.0 O A:ALA223 4.0 18.3 1.0 C A:ALA223 4.2 19.3 1.0 N A:ARG220 4.3 13.7 1.0 N A:ALA222 4.3 13.1 1.0 N A:HIS221 4.3 15.2 1.0 N A:ILE224 4.5 13.9 1.0 C A:HIS221 4.5 17.0 1.0 C A:ILE224 4.5 13.1 1.0 CA A:ALA222 4.6 11.5 1.0 CA A:ILE224 4.6 16.6 1.0 CA A:GLY225 4.6 15.3 1.0 O A:HOH379 4.7 40.7 1.0 N A:ALA223 4.7 16.3 1.0 CA A:ALA223 4.7 17.9 1.0 O A:ALA238 4.9 19.5 1.0 CA A:HIS221 4.9 16.5 1.0

Z.Lu, D.Dunaway-Mariano, K.N.Allen. Had Superfamily Phosphotransferase Substrate Diversification: Structure and Function Analysis of Had Subclass Iib Sugar Phosphatase BT4131. Biochemistry V. 44 8684 2005.
ISSN: ISSN 0006-2960
PubMed: 15952775
DOI: 10.1021/BI050009J