Magnesium in PDB 1so4: Crystal Structure of K64A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate

The structure of Crystal Structure of K64A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate, PDB code: 1so4 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 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	122.976, 41.900, 91.322, 90.00, 96.92, 90.00
R / Rfree (%)	16.2 / 20.5

The binding sites of Magnesium atom in the Crystal Structure of K64A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate (pdb code 1so4). 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 K64A Mutant of 3-Keto-L-Gulonate 6- Phosphate Decarboxylase with Bound L-Threonohydroxamate 4- Phosphate, PDB code: 1so4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of K64A 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 K64A 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:12.5 occ:1.00 OE2 A:GLU33 2.0 13.4 1.0 OD2 A:ASP62 2.0 13.4 1.0 O1 A:TX41301 2.0 16.0 1.0 O A:HOH2587 2.0 11.8 1.0 O2 A:TX41301 2.1 12.0 1.0 O A:HOH2576 2.2 13.6 1.0 C1 A:TX41301 2.9 14.9 1.0 C2 A:TX41301 3.0 15.1 1.0 CD A:GLU33 3.1 12.0 1.0 CG A:ASP62 3.2 14.1 1.0 OE1 A:GLU33 3.5 13.2 1.0 O3 A:TX41301 3.7 15.9 1.0 CB A:ASP62 3.8 12.9 1.0 O A:HOH2464 3.9 36.8 1.0 C3 A:TX41301 3.9 14.1 1.0 N A:TX41301 4.1 19.3 1.0 O A:HOH2344 4.1 19.6 1.0 O A:HOH2340 4.1 21.9 1.0 OD1 A:ASP11 4.1 13.0 1.0 OD1 A:ASP62 4.2 14.6 1.0 OD2 A:ASP11 4.3 13.5 1.0 CG A:GLU33 4.4 13.8 1.0 CA A:GLY35 4.5 12.0 1.0 OG1 A:THR36 4.5 15.3 1.0 N A:THR36 4.5 12.9 1.0 ON A:TX41301 4.6 23.9 1.0 CB A:ALA9 4.7 13.6 1.0 CG A:ASP11 4.7 12.6 1.0 CE1 A:HIS136 4.7 23.2 1.0 C4 A:TX41301 4.7 13.6 1.0 O A:HOH2577 4.9 53.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of K64A 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 K64A 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:12.0 occ:1.00 O1 B:TX42301 2.0 16.6 1.0 OE2 B:GLU33 2.0 12.5 1.0 OD2 B:ASP62 2.0 13.3 1.0 O B:HOH2569 2.1 13.6 1.0 O2 B:TX42301 2.1 12.2 1.0 O B:HOH2556 2.2 13.5 1.0 C1 B:TX42301 2.8 17.0 1.0 C2 B:TX42301 3.0 14.1 1.0 CD B:GLU33 3.0 11.0 1.0 CG B:ASP62 3.2 16.0 1.0 OE1 B:GLU33 3.4 12.2 1.0 O3 B:TX42301 3.7 14.5 1.0 O B:HOH2437 3.8 34.7 1.0 CB B:ASP62 3.8 13.2 1.0 C3 B:TX42301 4.0 12.8 1.0 N B:TX42301 4.1 20.0 1.0 O B:HOH2367 4.1 22.4 1.0 OD1 B:ASP11 4.1 12.9 1.0 O B:HOH2345 4.2 23.7 1.0 OD1 B:ASP62 4.2 14.3 1.0 OD2 B:ASP11 4.3 13.4 1.0 CG B:GLU33 4.3 12.3 1.0 CA B:GLY35 4.5 11.4 1.0 NE2 B:HIS136 4.6 30.5 1.0 N B:THR36 4.6 13.2 1.0 OG1 B:THR36 4.6 15.2 1.0 ON B:TX42301 4.6 24.3 1.0 CB B:ALA9 4.7 11.5 1.0 CG B:ASP11 4.7 14.5 1.0 OE1 B:GLU112 4.7 33.7 1.0 C4 B:TX42301 4.8 15.9 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