Magnesium in PDB 1so6: Crystal Structure of E112Q/H136A Double Mutant of 3-Keto-L- Gulonate 6-Phosphate Decarboxylase with Bound L- Threonohydroxamate 4-Phosphate

The structure of Crystal Structure of E112Q/H136A Double Mutant of 3-Keto-L- Gulonate 6-Phosphate Decarboxylase with Bound L- Threonohydroxamate 4-Phosphate, PDB code: 1so6 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 (°)	122.769, 41.807, 90.944, 90.00, 97.22, 90.00
R / Rfree (%)	15.8 / 20.8

The binding sites of Magnesium atom in the Crystal Structure of E112Q/H136A Double Mutant of 3-Keto-L- Gulonate 6-Phosphate Decarboxylase with Bound L- Threonohydroxamate 4-Phosphate (pdb code 1so6). 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 E112Q/H136A Double Mutant of 3-Keto-L- Gulonate 6-Phosphate Decarboxylase with Bound L- Threonohydroxamate 4-Phosphate, PDB code: 1so6:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of E112Q/H136A Double 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 E112Q/H136A Double 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:11.5 occ:1.00 OD2 A:ASP62 2.0 11.3 1.0 OE2 A:GLU33 2.0 10.3 1.0 O1 A:TX42301 2.1 14.0 1.0 O A:HOH2515 2.1 8.3 1.0 O A:HOH2516 2.1 11.1 1.0 O2 A:TX42301 2.2 10.7 1.0 C1 A:TX42301 2.9 17.4 1.0 CD A:GLU33 3.0 8.8 1.0 C2 A:TX42301 3.1 15.8 1.0 CG A:ASP62 3.1 14.0 1.0 OE1 A:GLU33 3.4 10.0 1.0 O3 A:TX42301 3.7 12.3 1.0 NZ A:LYS64 3.7 11.2 1.0 CB A:ASP62 3.8 12.1 1.0 O A:HOH2375 3.9 11.4 1.0 C3 A:TX42301 4.0 12.5 1.0 OD1 A:ASP62 4.1 14.5 1.0 N A:TX42301 4.2 19.0 1.0 OD2 A:ASP11 4.2 12.5 1.0 OD1 A:ASP11 4.2 14.9 1.0 CG A:GLU33 4.3 11.6 1.0 O A:HOH2376 4.4 3.5 1.0 OG1 A:THR36 4.4 10.8 1.0 CA A:GLY35 4.5 10.9 1.0 N A:THR36 4.5 11.8 1.0 CB A:ALA9 4.6 11.8 1.0 CG A:ASP11 4.7 15.0 1.0 ON A:TX42301 4.7 23.1 1.0 NE2 A:GLN112 4.7 14.6 1.0 C4 A:TX42301 4.8 11.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of E112Q/H136A Double 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 E112Q/H136A Double 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:11.7 occ:1.00 OE2 B:GLU33 2.0 9.7 1.0 OD2 B:ASP62 2.0 7.3 1.0 O1 B:TX41301 2.1 10.8 1.0 O B:HOH1502 2.1 10.5 1.0 O2 B:TX41301 2.2 8.3 1.0 O B:HOH1396 2.2 11.3 1.0 C1 B:TX41301 2.9 14.7 1.0 C2 B:TX41301 3.0 11.8 1.0 CD B:GLU33 3.0 10.7 1.0 CG B:ASP62 3.2 12.0 1.0 OE1 B:GLU33 3.5 9.3 1.0 O3 B:TX41301 3.6 11.0 1.0 NZ B:LYS64 3.7 11.6 1.0 C3 B:TX41301 3.9 11.7 1.0 CB B:ASP62 3.9 12.3 1.0 OD2 B:ASP11 4.0 12.4 1.0 OD1 B:ASP11 4.0 10.6 1.0 N B:TX41301 4.1 16.5 1.0 O B:HOH1399 4.2 12.7 1.0 OD1 B:ASP62 4.2 10.9 1.0 O B:HOH1398 4.2 4.8 1.0 CG B:GLU33 4.3 10.1 1.0 CA B:GLY35 4.4 9.9 1.0 CB B:ALA9 4.4 9.6 1.0 N B:THR36 4.5 9.6 1.0 CG B:ASP11 4.5 13.6 1.0 OG1 B:THR36 4.5 12.3 1.0 C4 B:TX41301 4.6 9.3 1.0 ON B:TX41301 4.7 18.5 1.0 C B:GLY35 5.0 9.7 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