Magnesium in PDB 6qin: Crystal Structure of the PMGL2 Esterase From Permafrost Metagenomic Library

All present enzymatic activity of Crystal Structure of the PMGL2 Esterase From Permafrost Metagenomic Library:
3.1.1.3;

The structure of Crystal Structure of the PMGL2 Esterase From Permafrost Metagenomic Library, PDB code: 6qin was solved by K.M.Boyko, A.Y.Nikolaeva, D.A.Korzhenevskiy, M.V.Kryukova, L.E.Petrovskaya, K.A.Novototskaya-Vlasova, E.M.Rivkina, D.A.Dolgikh, M.P.Kirpichnikov, V.O.Popov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.31 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.010, 92.350, 74.230, 90.00, 106.83, 90.00
R / Rfree (%)	15.7 / 18.7

The structure of Crystal Structure of the PMGL2 Esterase From Permafrost Metagenomic Library also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of the PMGL2 Esterase From Permafrost Metagenomic Library (pdb code 6qin). 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 PMGL2 Esterase From Permafrost Metagenomic Library, PDB code: 6qin:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the PMGL2 Esterase From Permafrost Metagenomic Library


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 PMGL2 Esterase From Permafrost Metagenomic Library within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:22.7 occ:1.00 O A:HOH600 1.8 31.2 1.0 O A:HOH741 2.1 28.6 1.0 O A:HOH510 2.1 23.1 1.0 O B:HOH733 2.1 25.7 1.0 O A:HOH622 2.1 31.1 1.0 O B:HOH593 2.1 19.1 1.0 OE1 A:GLU293 3.6 20.4 1.0 NH1 A:ARG327 3.9 14.9 1.0 O A:HOH757 3.9 29.6 1.0 O A:HOH656 4.1 25.5 1.0 CD A:GLU293 4.1 23.0 1.0 O B:HOH749 4.2 39.1 1.0 O B:HOH538 4.2 16.2 1.0 OE2 A:GLU293 4.2 35.1 1.0 NH2 A:ARG327 4.2 17.3 1.0 O B:HOH651 4.4 35.1 1.0 O B:SER292 4.5 11.2 1.0 OD1 B:ASP291 4.5 14.8 1.0 CZ A:ARG327 4.5 14.6 1.0 O B:HOH728 4.6 26.2 1.0 O B:HOH710 4.8 30.4 1.0 CA B:ASP291 4.8 11.3 1.0 N B:SER292 4.8 11.6 1.0 O B:VAL290 5.0 13.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the PMGL2 Esterase From Permafrost Metagenomic Library


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 PMGL2 Esterase From Permafrost Metagenomic Library within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:17.7 occ:0.50 O B:HOH633 2.0 28.7 1.0 O A:HOH753 2.0 34.0 1.0 O B:HOH526 2.1 26.2 1.0 O B:HOH603 2.1 35.7 1.0 O B:HOH729 2.1 35.0 1.0 O A:HOH570 2.1 21.4 1.0 OE1 B:GLU293 3.4 21.8 1.0 NH1 B:ARG327 3.9 19.1 1.0 CD B:GLU293 4.0 23.6 1.0 O B:HOH737 4.0 39.2 1.0 OE2 B:GLU293 4.1 30.6 1.0 NH2 B:ARG327 4.1 19.4 1.0 O A:HOH547 4.2 17.8 1.0 O A:SER292 4.4 11.5 1.0 OD1 A:ASP291 4.5 14.6 1.0 O B:HOH728 4.5 26.2 1.0 CZ B:ARG327 4.5 16.6 1.0 O B:HOH710 4.7 30.4 1.0 N A:SER292 4.8 11.1 1.0 O A:HOH514 4.9 37.5 1.0 CA A:ASP291 4.9 11.5 1.0

K.M.Boyko, M.V.Kryukova, A.Y.Nikolaeva, D.A.Korzhenevskiy, L.E.Petrovskaya, K.A.Novototskaya-Vlasova, E.M.Rivkina, D.A.Dolgikh, M.P.Kirpichnikov, V.O.Popov. Crystal Structure of the PMGL2 Esterase with Gcsag Motif Around the Catalytic Serine To Be Published.