Magnesium in PDB 4pip: Engineered Egtd Variant Egtd-M252V,E282A in Complex with Tryptophan and Sah

All present enzymatic activity of Engineered Egtd Variant Egtd-M252V,E282A in Complex with Tryptophan and Sah:
2.1.1.44;

The structure of Engineered Egtd Variant Egtd-M252V,E282A in Complex with Tryptophan and Sah, PDB code: 4pip was solved by A.Vit, F.P.Seebeck, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.86 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.045, 67.634, 112.125, 90.00, 109.24, 90.00
R / Rfree (%)	19.4 / 23.9

The structure of Engineered Egtd Variant Egtd-M252V,E282A in Complex with Tryptophan and Sah also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Engineered Egtd Variant Egtd-M252V,E282A in Complex with Tryptophan and Sah (pdb code 4pip). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Engineered Egtd Variant Egtd-M252V,E282A in Complex with Tryptophan and Sah, PDB code: 4pip:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Engineered Egtd Variant Egtd-M252V,E282A in Complex with Tryptophan and Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Engineered Egtd Variant Egtd-M252V,E282A in Complex with Tryptophan and Sah within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:12.0 occ:1.00 O B:HOH522 2.1 12.0 1.0 O B:HOH553 2.2 14.7 1.0 O B:HOH539 2.2 10.1 1.0 HD2 B:ARG94 3.8 14.4 1.0 O B:HOH606 4.1 18.6 1.0 OD2 B:ASP98 4.1 13.6 1.0 OD1 B:ASP98 4.1 13.3 1.0 OE1 B:GLU129 4.2 16.0 1.0 OE2 B:GLU129 4.3 19.4 1.0 HB3 B:ARG94 4.4 11.6 1.0 OH B:TYR130 4.4 12.8 1.0 HH B:TYR130 4.5 15.3 1.0 CG B:ASP98 4.5 16.5 1.0 CD B:GLU129 4.5 17.5 1.0 HE B:ARG94 4.7 15.2 1.0 CD B:ARG94 4.7 12.0 1.0 HB3 B:GLU129 5.0 22.5 1.0

Magnesium binding site 2 out of 2 in the Engineered Egtd Variant Egtd-M252V,E282A in Complex with Tryptophan and Sah


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Engineered Egtd Variant Egtd-M252V,E282A in Complex with Tryptophan and Sah within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg404 b:34.3 occ:1.00 O C:HOH572 2.2 22.1 1.0 O C:HOH531 2.4 32.3 1.0 O C:HOH629 3.9 31.2 1.0 O C:HOH574 4.0 26.2 1.0 HG2 C:GLU104 4.0 29.8 1.0 O C:HOH560 4.2 33.4 1.0 O C:HOH541 4.2 18.7 1.0 HG2 C:ARG101 4.2 28.4 1.0 O C:ARG101 4.4 16.2 1.0 CG C:GLU104 4.9 24.8 1.0 OE2 C:GLU104 5.0 46.1 1.0 HG3 C:GLU104 5.0 29.8 1.0

A.Vit, L.Misson, W.Blankenfeldt, F.P.Seebeck. Ergothioneine Biosynthetic Methyltransferase Egtd Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis. Chembiochem 2014.
ISSN: ESSN 1439-7633
PubMed: 25404173
DOI: 10.1002/CBIC.201402522