Magnesium in PDB 6kca: Room Temperature Structure of Glucose Isomerase Delivered in Shortening A By Serial Millisecond Crystallography

All present enzymatic activity of Room Temperature Structure of Glucose Isomerase Delivered in Shortening A By Serial Millisecond Crystallography:
5.3.1.5;

The structure of Room Temperature Structure of Glucose Isomerase Delivered in Shortening A By Serial Millisecond Crystallography, PDB code: 6kca was solved by K.H.Nam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.80 / 1.90
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.190, 99.920, 103.250, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 21.4

The binding sites of Magnesium atom in the Room Temperature Structure of Glucose Isomerase Delivered in Shortening A By Serial Millisecond Crystallography (pdb code 6kca). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Room Temperature Structure of Glucose Isomerase Delivered in Shortening A By Serial Millisecond Crystallography, PDB code: 6kca:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Room Temperature Structure of Glucose Isomerase Delivered in Shortening A By Serial Millisecond Crystallography


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Room Temperature Structure of Glucose Isomerase Delivered in Shortening A By Serial Millisecond Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:21.4 occ:1.00 O A:HOH588 1.9 36.7 1.0 OE1 A:GLU217 2.0 33.7 1.0 OD2 A:ASP255 2.1 42.7 1.0 OD1 A:ASP257 2.3 31.6 1.0 NE2 A:HIS220 2.5 32.5 1.0 OD1 A:ASP255 2.6 34.5 1.0 CG A:ASP255 2.6 38.5 1.0 CD2 A:HIS220 3.1 26.5 1.0 CD A:GLU217 3.1 30.9 1.0 CG A:ASP257 3.2 29.4 1.0 OD2 A:ASP257 3.4 34.0 1.0 O A:HOH673 3.5 38.3 1.0 OE2 A:GLU217 3.6 35.0 1.0 CE1 A:HIS220 3.6 29.8 1.0 ND2 A:ASN247 3.9 27.1 1.0 CB A:ASP255 4.2 28.4 1.0 O A:HOH537 4.2 31.9 1.0 CG A:HIS220 4.3 24.9 1.0 CG A:GLU217 4.4 23.6 1.0 ND1 A:HIS220 4.5 28.5 1.0 CB A:ASP257 4.6 26.0 1.0 O A:HOH540 4.8 48.5 1.0 CE A:LYS183 4.8 34.2 1.0 NZ A:LYS183 4.9 29.0 1.0 OD2 A:ASP287 4.9 36.8 1.0 MG A:MG402 4.9 30.6 1.0

Magnesium binding site 2 out of 2 in the Room Temperature Structure of Glucose Isomerase Delivered in Shortening A By Serial Millisecond Crystallography


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Room Temperature Structure of Glucose Isomerase Delivered in Shortening A By Serial Millisecond Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:30.6 occ:1.00 OE2 A:GLU217 2.0 35.0 1.0 OE2 A:GLU181 2.0 50.6 1.0 OD2 A:ASP287 2.1 36.8 1.0 OD2 A:ASP245 2.4 31.7 1.0 O A:HOH540 2.7 48.5 1.0 CD A:GLU181 3.0 36.7 1.0 CG A:ASP287 3.2 35.9 1.0 CD A:GLU217 3.3 30.9 1.0 OE1 A:GLU181 3.4 41.4 1.0 CG A:ASP245 3.5 29.8 1.0 CB A:ASP287 3.6 26.2 1.0 O A:HOH530 3.7 41.6 1.0 CB A:ASP245 4.0 25.5 1.0 OE1 A:GLU217 4.1 33.7 1.0 O A:HOH588 4.1 36.7 1.0 CE1 A:HIS220 4.2 29.8 1.0 CB A:GLU217 4.2 26.0 1.0 CG A:GLU217 4.2 23.6 1.0 OD1 A:ASP287 4.3 33.0 1.0 CG A:GLU181 4.3 30.6 1.0 NE2 A:HIS220 4.6 32.5 1.0 OD1 A:ASP245 4.6 34.5 1.0 ND1 A:HIS220 4.9 28.5 1.0 MG A:MG401 4.9 21.4 1.0 ND2 A:ASN215 5.0 26.0 1.0

K.H.Nam, K.H.Nam. N/A N/A.
ISSN: ESSN 2045-2322
PubMed: 31919476
DOI: 10.1038/S41598-019-56135-1