Magnesium in PDB 1so3: Crystal Structure of H136A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate

The structure of Crystal Structure of H136A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate, PDB code: 1so3 was solved by E.L.Wise, W.S.Yew, J.A.Gerlt, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.29 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	123.116, 42.059, 91.070, 90.00, 97.06, 90.00
R / Rfree (%)	14.8 / 19.2

The binding sites of Magnesium atom in the Crystal Structure of H136A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate (pdb code 1so3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of H136A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate, PDB code: 1so3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of H136A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of H136A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2300 b:17.3 occ:1.00 OE2 A:GLU33 2.0 15.2 1.0 OD2 A:ASP62 2.0 15.5 1.0 O1 A:TX42301 2.1 17.5 1.0 O A:HOH2555 2.1 18.7 1.0 O2 A:TX42301 2.1 14.1 1.0 O A:HOH2550 2.1 16.1 1.0 C1 A:TX42301 2.9 19.6 1.0 CD A:GLU33 3.0 15.6 1.0 C2 A:TX42301 3.0 19.5 1.0 CG A:ASP62 3.2 18.8 1.0 OE1 A:GLU33 3.4 15.8 1.0 O3 A:TX42301 3.6 19.1 1.0 NZ A:LYS64 3.7 18.5 1.0 CB A:ASP62 3.8 17.2 1.0 C3 A:TX42301 3.9 18.2 1.0 N A:TX42301 4.1 21.6 1.0 O A:HOH2325 4.1 17.8 1.0 OD1 A:ASP11 4.2 18.7 1.0 OD2 A:ASP11 4.2 15.3 1.0 OD1 A:ASP62 4.2 15.5 1.0 CG A:GLU33 4.3 17.0 1.0 O A:HOH2302 4.4 12.9 1.0 CA A:GLY35 4.5 15.8 1.0 N A:THR36 4.6 16.4 1.0 OG1 A:THR36 4.6 17.6 1.0 C4 A:TX42301 4.6 17.6 1.0 CB A:ALA9 4.6 16.4 1.0 CG A:ASP11 4.7 17.5 1.0 ON A:TX42301 4.7 26.3 1.0 OE1 A:GLU112 4.8 23.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of H136A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of H136A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1300 b:17.0 occ:1.00 OD2 B:ASP62 2.0 16.8 1.0 OE2 B:GLU33 2.0 15.3 1.0 O B:HOH1536 2.1 15.0 1.0 O1 B:TX41301 2.1 18.6 1.0 O2 B:TX41301 2.2 13.8 1.0 O B:HOH1472 2.2 17.6 1.0 C1 B:TX41301 2.9 19.3 1.0 C2 B:TX41301 3.0 19.2 1.0 CD B:GLU33 3.1 16.1 1.0 CG B:ASP62 3.2 19.0 1.0 OE1 B:GLU33 3.5 15.9 1.0 NZ B:LYS64 3.7 22.3 1.0 O3 B:TX41301 3.8 20.5 1.0 CB B:ASP62 3.9 16.7 1.0 C3 B:TX41301 4.0 16.7 1.0 OD1 B:ASP11 4.1 16.3 1.0 OD2 B:ASP11 4.1 18.4 1.0 N B:TX41301 4.1 22.2 1.0 O B:HOH1355 4.1 22.7 1.0 OD1 B:ASP62 4.2 17.9 1.0 O B:HOH1302 4.3 13.1 1.0 CG B:GLU33 4.4 15.9 1.0 OG1 B:THR36 4.4 16.1 1.0 N B:THR36 4.5 16.3 1.0 CA B:GLY35 4.5 16.1 1.0 O B:HOH1450 4.5 39.3 1.0 CG B:ASP11 4.6 18.6 1.0 CB B:ALA9 4.6 14.7 1.0 C4 B:TX41301 4.7 16.5 1.0 ON B:TX41301 4.8 25.5 1.0

E.L.Wise, W.S.Yew, J.A.Gerlt, I.Rayment. Evolution of Enzymatic Activities in the Orotidine 5'-Monophosphate Decarboxylase Suprafamily: Crystallographic Evidence For A Proton Relay System in the Active Site of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase(,) Biochemistry V. 43 6438 2004.
ISSN: ISSN 0006-2960
PubMed: 15157078
DOI: 10.1021/BI0497392