Magnesium in PDB 5jqj: Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1

All present enzymatic activity of Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1:
3.5.2.6;

The structure of Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1, PDB code: 5jqj was solved by N.-S.Hong, C.J.Jackson, P.D.Carr, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.45 / 1.67
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	37.795, 137.724, 77.455, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 18.7

The structure of Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1 (pdb code 5jqj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1, PDB code: 5jqj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:22.9 occ:1.00 OE2 A:GLU223 2.0 31.9 1.0 OE2 A:GLU152 2.2 29.7 1.0 OE1 A:GLU152 2.4 31.2 1.0 CD A:GLU152 2.6 27.0 1.0 CD A:GLU223 2.8 29.1 1.0 OE1 A:GLU223 2.9 25.6 1.0 O A:HOH402 3.5 33.8 1.0 NE2 A:HIS122 4.1 19.5 1.0 CG A:GLU152 4.1 26.4 1.0 O A:HOH590 4.2 35.3 1.0 CG A:GLU223 4.3 23.1 1.0 CD2 A:HIS122 4.4 19.4 1.0 CB A:GLU152 4.8 24.1 1.0 CA A:GLU152 4.9 22.6 1.0 O A:HOH450 5.0 22.6 1.0

Magnesium binding site 2 out of 2 in the Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg306 b:19.5 occ:1.00 OD2 A:ASP95 2.0 15.8 1.0 O A:HOH513 2.2 17.8 1.0 O A:HOH453 2.2 18.4 1.0 O A:HOH426 2.2 20.7 1.0 O A:HOH635 2.2 21.2 1.0 CG A:ASP95 3.1 15.9 1.0 CB A:ASP95 3.7 14.0 1.0 O A:HOH541 4.0 14.3 1.0 O A:HOH467 4.0 28.1 1.0 O A:GLY127 4.1 16.0 1.0 OD1 A:ASP95 4.1 15.4 1.0 N A:ASP95 4.2 14.1 1.0 O A:HOH563 4.4 17.8 1.0 OD2 A:ASP130 4.4 16.1 1.0 CA A:ASP95 4.6 15.2 1.0 O A:HOH465 4.8 30.0 1.0

F.Baier, N.-S.Hong, G.Yang, P.D.Carr, C.Jackson, N.Tokuriki. Enzyme Evolvability Is Contingent on the Initial Sequence Background To Be Published.