Magnesium in PDB 5k4m: Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-3

All present enzymatic activity of Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-3:
3.5.2.6;

The structure of Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-3, PDB code: 5k4m 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)	39.13 / 1.98
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	37.820, 138.160, 78.200, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 20.8

The structure of Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-3 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-3 (pdb code 5k4m). 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-3, PDB code: 5k4m:
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-3


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-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:49.7 occ:1.00 OE1 A:GLU152 2.5 26.5 1.0 O A:HOH402 2.5 33.6 1.0 OE2 A:GLU152 2.7 24.7 1.0 CD A:GLU152 2.8 23.2 1.0 OE2 A:GLU223 3.0 26.1 1.0 CD A:GLU223 3.4 23.6 1.0 OE1 A:GLU223 3.4 20.8 1.0 CG A:GLU152 4.2 19.4 1.0 CG A:GLU223 4.5 21.5 1.0 O A:HOH434 4.7 27.3 1.0 O A:ARG151 4.7 17.8 1.0 CA A:GLU152 4.8 18.1 1.0 NE2 A:HIS122 4.9 15.9 1.0 O A:HOH558 4.9 53.5 1.0 CB A:GLU152 4.9 17.7 1.0

Magnesium binding site 2 out of 2 in the Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-3


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-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:20.0 occ:1.00 OD2 A:ASP95 1.9 9.9 1.0 O A:HOH567 2.0 14.5 1.0 O A:HOH468 2.1 9.5 1.0 O A:HOH521 2.2 15.1 1.0 O A:HOH477 2.3 15.3 1.0 CG A:ASP95 3.1 9.8 1.0 CB A:ASP95 3.7 9.2 1.0 O A:HOH523 4.0 8.0 1.0 O A:HOH529 4.1 20.7 1.0 OD1 A:ASP95 4.1 9.0 1.0 O A:GLY127 4.1 13.6 1.0 N A:ASP95 4.4 8.6 1.0 OD2 A:ASP130 4.4 9.1 1.0 O A:HOH535 4.4 9.7 1.0 O A:HOH542 4.6 21.7 1.0 CA A:ASP95 4.7 8.5 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.