Zinc 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:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the Directed Evolutionary Changes in Mbl Super Family - Ndm-1 Round 10 Crystal-1, PDB code: 5jqj:
Jump to Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn301 b:20.3 occ:1.00 O A:HOH536 1.9 22.7 1.0 ND1 A:HIS122 2.0 20.1 1.0 NE2 A:HIS189 2.1 18.2 1.0 NE2 A:HIS120 2.1 15.0 1.0 CE1 A:HIS122 3.0 19.3 1.0 CE1 A:HIS120 3.0 18.6 1.0 CD2 A:HIS189 3.0 16.9 1.0 CG A:HIS122 3.0 17.8 1.0 CD2 A:HIS120 3.1 17.4 1.0 CE1 A:HIS189 3.1 20.2 1.0 CB A:HIS122 3.4 16.8 1.0 ZN A:ZN302 3.6 20.0 1.0 O A:HOH433 3.7 47.5 1.0 OD1 A:ASP124 3.9 18.4 1.0 SG A:CYS208 3.9 16.0 1.0 NE2 A:HIS122 4.1 19.5 1.0 CB A:CYS208 4.1 16.0 1.0 ND1 A:HIS120 4.1 17.1 1.0 CD2 A:HIS122 4.1 19.4 1.0 ND1 A:HIS189 4.2 19.3 1.0 CG A:HIS189 4.2 17.4 1.0 CG A:HIS120 4.2 14.3 1.0 C3 A:MES304 4.2 56.5 1.0 N4 A:MES304 4.3 53.4 1.0 C2 A:MES304 4.4 54.8 1.0 CG2 A:THR190 4.5 16.2 1.0 OD2 A:ASP124 4.5 20.6 1.0 CG A:ASP124 4.6 18.1 1.0 CA A:HIS122 4.9 15.9 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn302 b:20.0 occ:1.00 OD2 A:ASP124 2.0 20.6 1.0 O A:HOH433 2.0 47.5 1.0 NE2 A:HIS250 2.1 17.4 1.0 O A:HOH536 2.2 22.7 1.0 SG A:CYS208 2.2 16.0 1.0 CE1 A:HIS250 3.0 19.2 1.0 CG A:ASP124 3.0 18.1 1.0 CD2 A:HIS250 3.1 17.2 1.0 CB A:CYS208 3.3 16.0 1.0 OD1 A:ASP124 3.4 18.4 1.0 ZN A:ZN301 3.6 20.3 1.0 N4 A:MES304 3.9 53.4 1.0 ND1 A:HIS250 4.2 18.1 1.0 CG A:HIS250 4.2 16.3 1.0 NE2 A:HIS189 4.3 18.2 1.0 CB A:SER249 4.3 16.1 1.0 CB A:ASP124 4.3 16.9 1.0 C8 A:MES304 4.4 46.5 1.0 C5 A:MES304 4.4 53.3 1.0 CE1 A:HIS189 4.5 20.2 1.0 C7 A:MES304 4.5 48.7 1.0 CA A:CYS208 4.5 14.7 1.0 O1S A:MES304 4.5 40.4 1.0 C6 A:MES304 4.5 52.2 1.0 OG A:SER249 4.6 18.8 1.0 CE1 A:HIS120 4.6 18.6 1.0 NE2 A:HIS120 4.6 15.0 1.0 CE A:LYS125 4.8 21.4 1.0 O A:HOH499 4.9 17.9 1.0 C3 A:MES304 5.0 56.5 1.0 CD A:LYS125 5.0 21.2 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.