Magnesium in PDB 8bra: Polyester Hydrolase Leipzig 7 (PHL7) Bound to Terephthalic Acid (Tpa) and MG2+

The structure of Polyester Hydrolase Leipzig 7 (PHL7) Bound to Terephthalic Acid (Tpa) and MG2+, PDB code: 8bra was solved by P.K.Richter, N.Strater, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.46 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.352, 56.069, 100.442, 90, 94.01, 90
R / Rfree (%)	13 / 16.1

The binding sites of Magnesium atom in the Polyester Hydrolase Leipzig 7 (PHL7) Bound to Terephthalic Acid (Tpa) and MG2+ (pdb code 8bra). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Polyester Hydrolase Leipzig 7 (PHL7) Bound to Terephthalic Acid (Tpa) and MG2+, PDB code: 8bra:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Polyester Hydrolase Leipzig 7 (PHL7) Bound to Terephthalic Acid (Tpa) and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Polyester Hydrolase Leipzig 7 (PHL7) Bound to Terephthalic Acid (Tpa) and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:18.2 occ:1.00 O A:HOH610 2.0 24.6 1.0 O A:HOH501 2.0 25.1 1.0 O A:HOH423 2.0 27.8 1.0 O A:HOH463 2.1 26.5 1.0 O A:HOH424 2.1 18.2 1.0 OD1 A:ASP246 2.1 15.1 1.0 CG A:ASP246 3.1 21.1 1.0 OD2 A:ASP246 3.3 26.1 1.0 O A:HOH653 3.9 22.8 1.0 O A:HOH692 4.0 32.5 1.0 OE2 A:GLU13 4.2 18.0 1.0 OE1 A:GLU13 4.2 26.6 1.0 H A:ASP246 4.2 15.0 1.0 O A:HOH537 4.2 35.4 1.0 HA A:ASP247 4.3 14.6 1.0 O A:HOH745 4.3 32.6 1.0 O A:HOH791 4.3 39.7 1.0 CB A:ASP246 4.5 14.8 1.0 C A:ASP246 4.5 13.4 1.0 N A:ASP247 4.6 12.5 1.0 CD A:GLU13 4.6 25.4 1.0 OD1 A:ASP247 4.6 9.8 1.0 H A:ASP247 4.7 14.9 1.0 O A:ASP246 4.8 13.0 1.0 CA A:ASP246 4.8 14.3 1.0 N A:ASP246 4.9 12.6 1.0 HB2 A:ASP246 4.9 17.7 1.0 CA A:ASP247 5.0 12.2 1.0

Magnesium binding site 2 out of 2 in the Polyester Hydrolase Leipzig 7 (PHL7) Bound to Terephthalic Acid (Tpa) and MG2+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Polyester Hydrolase Leipzig 7 (PHL7) Bound to Terephthalic Acid (Tpa) and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:26.2 occ:1.00 O B:HOH444 2.0 31.4 1.0 O B:HOH482 2.0 29.4 1.0 O B:HOH428 2.1 29.7 1.0 O B:HOH658 2.1 31.9 1.0 O B:HOH422 2.2 21.6 1.0 OD1 B:ASP246 2.2 19.3 1.0 CG B:ASP246 3.2 27.1 1.0 OD2 B:ASP246 3.4 28.8 1.0 O B:HOH664 3.9 26.6 1.0 O B:HOH703 4.0 28.9 1.0 O B:HOH826 4.0 43.1 1.0 O B:HOH780 4.1 40.4 1.0 OE1 B:GLU13 4.1 32.4 1.0 OE2 B:GLU13 4.2 23.2 1.0 H B:ASP246 4.3 18.6 1.0 O B:HOH570 4.3 42.8 1.0 HA B:ASP247 4.4 18.3 1.0 CB B:ASP246 4.6 18.2 1.0 CD B:GLU13 4.6 32.0 1.0 C B:ASP246 4.6 13.7 1.0 N B:ASP247 4.7 14.2 1.0 OD1 B:ASP247 4.8 14.0 1.0 O B:ASP246 4.8 17.5 1.0 H B:ASP247 4.9 17.0 1.0 CA B:ASP246 4.9 15.6 1.0 N B:ASP246 5.0 15.6 1.0

P.K.Richter, P.Blazquez-Sanchez, Z.Zhao, F.Engelberger, C.Wiebeler, G.Kunze, R.Frank, D.Krinke, E.Frezzotti, Y.Lihanova, P.Falkenstein, J.Matysik, W.Zimmermann, N.Strater, C.Sonnendecker. Structure and Function of the Metagenomic Plastic-Degrading Polyester Hydrolase PHL7 Bound to Its Product. Nat Commun V. 14 1905 2023.
ISSN: ESSN 2041-1723
PubMed: 37019924
DOI: 10.1038/S41467-023-37415-X