Magnesium in PDB 3ism: Crystal Structure of the Endog/Endogi Complex: Mechanism of Endog Inhibition

All present enzymatic activity of Crystal Structure of the Endog/Endogi Complex: Mechanism of Endog Inhibition:
3.6.1.3;

The structure of Crystal Structure of the Endog/Endogi Complex: Mechanism of Endog Inhibition, PDB code: 3ism was solved by B.Loll, M.Gebhardt, E.Wahle, A.Meinhart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.23 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.790, 109.150, 121.080, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.3

The binding sites of Magnesium atom in the Crystal Structure of the Endog/Endogi Complex: Mechanism of Endog Inhibition (pdb code 3ism). 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 the Endog/Endogi Complex: Mechanism of Endog Inhibition, PDB code: 3ism:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Endog/Endogi Complex: Mechanism of Endog Inhibition


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 the Endog/Endogi Complex: Mechanism of Endog Inhibition within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1 b:18.2 occ:1.00 OD1 A:ASN187 2.0 27.8 1.0 O A:HOH5 2.0 17.4 1.0 O A:HOH3 2.1 12.1 1.0 O A:HOH2 2.1 17.7 1.0 O A:HOH4 2.1 18.4 1.0 O A:HOH6 2.2 16.2 1.0 CG A:ASN187 3.1 26.0 1.0 ND2 A:ASN187 3.7 24.9 1.0 OE2 A:GLU195 3.9 27.8 1.0 O A:ASN187 3.9 26.3 1.0 OE1 A:GLN181 4.0 29.2 1.0 N A:HIS155 4.1 27.6 1.0 O C:HOH367 4.1 24.1 1.0 OE1 A:GLU195 4.2 26.3 1.0 O A:HOH33 4.2 13.3 1.0 O A:HOH36 4.3 16.3 1.0 CB A:HIS155 4.4 28.8 1.0 O C:HOH369 4.4 17.6 1.0 CB A:ASN187 4.4 26.0 1.0 O C:HOH405 4.4 27.5 1.0 CD1 A:TRP191 4.4 26.9 1.0 ND1 A:HIS155 4.4 28.8 1.0 CD A:GLU195 4.5 26.8 1.0 C A:ASN187 4.5 26.4 1.0 O A:HIS155 4.5 30.3 1.0 CA A:GLY154 4.5 27.4 1.0 CA A:ASN187 4.6 26.7 1.0 C A:GLY154 4.7 28.0 1.0 CA A:HIS155 4.8 28.9 1.0 CG A:HIS155 4.9 29.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Endog/Endogi Complex: Mechanism of Endog Inhibition


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 the Endog/Endogi Complex: Mechanism of Endog Inhibition within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1 b:25.8 occ:1.00 O B:HOH5 1.9 23.3 1.0 O B:HOH2 2.0 19.9 1.0 O C:HOH360 2.1 20.6 1.0 O B:HOH3 2.1 24.2 1.0 OD1 B:ASN187 2.2 27.7 1.0 O B:HOH4 2.2 21.1 1.0 CG B:ASN187 3.3 27.3 1.0 ND2 B:ASN187 3.9 28.1 1.0 N B:HIS155 4.0 28.4 1.0 OE1 B:GLU195 4.0 29.1 1.0 O B:ASN187 4.0 27.1 1.0 OE2 B:GLU195 4.0 28.5 1.0 O C:HOH368 4.2 22.4 1.0 O B:HOH325 4.2 25.0 1.0 CB B:HIS155 4.3 28.2 1.0 OE1 B:GLN181 4.3 29.7 1.0 ND1 B:HIS155 4.3 29.7 1.0 CD B:GLU195 4.5 29.5 1.0 O B:HIS155 4.5 27.9 1.0 CB B:ASN187 4.6 26.4 1.0 CD1 B:TRP191 4.6 27.5 1.0 CA B:GLY154 4.6 28.1 1.0 C B:ASN187 4.7 26.9 1.0 CA B:HIS155 4.7 28.4 1.0 C B:GLY154 4.7 28.9 1.0 CA B:ASN187 4.8 26.5 1.0 OD2 C:ASP333 4.8 28.1 1.0 CG B:HIS155 4.8 28.7 1.0

B.Loll, M.Gebhardt, E.Wahle, A.Meinhart. Crystal Structure of the Endog/Endogi Complex: Mechanism of Endog Inhibition. Nucleic Acids Res. V. 37 7312 2009.
ISSN: ISSN 0305-1048
PubMed: 19783821
DOI: 10.1093/NAR/GKP770