Magnesium in PDB 4hhl: High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk

All present enzymatic activity of High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk:
5.3.1.5;

The structure of High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk, PDB code: 4hhl was solved by H.Ben Hlima, J.Riguet, R.Haser, N.Aghajari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.14 / 1.73
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	110.800, 91.680, 84.610, 90.00, 119.65, 90.00
R / Rfree (%)	13.1 / 18.8

The structure of High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Magnesium atom in the High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk (pdb code 4hhl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk, PDB code: 4hhl:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:16.8 occ:1.00 OE2 A:GLU181 2.0 31.4 1.0 OD2 A:ASP287 2.1 22.5 1.0 OD2 A:ASP245 2.1 24.4 1.0 OE2 A:GLU217 2.2 24.1 1.0 O A:HOH1609 2.2 28.3 1.0 O A:HOH1565 2.6 39.1 1.0 CD A:GLU181 2.9 26.2 1.0 CG A:ASP287 3.2 19.9 1.0 OE1 A:GLU181 3.2 33.0 1.0 CG A:ASP245 3.3 21.3 1.0 CD A:GLU217 3.4 21.6 1.0 O A:HOH1639 3.6 41.2 1.0 O A:HOH1689 3.7 19.4 1.0 CB A:ASP287 3.8 18.2 1.0 CB A:ASP245 4.0 16.3 1.0 O A:HOH1690 4.0 31.3 1.0 OE1 A:GLU217 4.2 23.0 1.0 OD1 A:ASP287 4.2 21.6 1.0 CE1 A:HIS220 4.2 20.1 1.0 CG A:GLU217 4.3 15.7 1.0 CG A:GLU181 4.3 21.5 1.0 OD1 A:ASP245 4.3 21.4 1.0 CB A:GLU217 4.3 16.4 1.0 NE2 A:HIS220 4.8 19.4 1.0 O A:HOH1610 4.8 32.9 1.0 ND2 A:ASN215 4.9 20.9 1.0 ND1 A:HIS220 5.0 17.8 1.0

Magnesium binding site 2 out of 3 in the High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:17.6 occ:0.50 OE2 A:GLU67 1.4 32.3 1.0 NE2 A:HIS71 2.0 23.2 1.0 CD A:GLU67 2.6 29.4 1.0 O2 A:EDO405 2.9 45.5 1.0 CE1 A:HIS71 3.0 23.1 1.0 CD2 A:HIS71 3.0 22.9 1.0 OE1 A:GLU67 3.1 31.3 1.0 CG A:GLU67 3.7 30.4 1.0 C2 A:EDO405 3.9 46.5 1.0 ND1 A:HIS71 4.1 22.9 1.0 CG A:HIS71 4.2 20.0 1.0 CG A:PRO60 4.3 26.1 1.0 O A:HOH1651 4.7 39.3 1.0 CD A:PRO60 4.9 24.3 1.0 C1 A:EDO405 5.0 47.5 1.0

Magnesium binding site 3 out of 3 in the High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of High Resolution Crystal Structure of Glucose Isomerase From Streptomyces Sp. Sk within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:23.1 occ:1.00 OE2 B:GLU181 2.0 35.5 1.0 OD2 B:ASP245 2.0 32.6 1.0 OE1 B:GLU217 2.1 31.4 1.0 OD2 B:ASP287 2.1 29.0 1.0 O B:HOH527 2.2 34.2 1.0 O B:HOH604 2.5 39.4 1.0 CD B:GLU181 2.9 29.6 1.0 OE1 B:GLU181 3.2 36.3 1.0 CG B:ASP287 3.2 27.8 1.0 CG B:ASP245 3.3 26.8 1.0 CD B:GLU217 3.4 25.5 1.0 O B:HOH651 3.6 47.0 1.0 O B:HOH631 3.7 26.6 1.0 CB B:ASP287 3.8 26.8 1.0 CB B:ASP245 4.0 24.5 1.0 O B:HOH632 4.0 30.4 1.0 OE2 B:GLU217 4.2 26.3 1.0 CE1 B:HIS220 4.2 18.6 1.0 OD1 B:ASP245 4.3 28.8 1.0 OD1 B:ASP287 4.3 29.8 1.0 CB B:GLU217 4.3 20.0 1.0 CG B:GLU217 4.3 21.8 1.0 CG B:GLU181 4.3 23.4 1.0 O B:HOH634 4.7 40.3 1.0 NE2 B:HIS220 4.7 22.7 1.0 ND2 B:ASN215 4.9 28.7 1.0

H.Ben Hlima, S.Bejar, J.Riguet, R.Haser, N.Aghajari. Identification of Critical Residues For the Activity and Thermostability of Streptomyces Sp. Sk Glucose Isomerase. Appl.Microbiol.Biotechnol. V. 97 9715 2013.
ISSN: ISSN 0175-7598
PubMed: 23463249
DOI: 10.1007/S00253-013-4784-2