Sodium in PDB 3zn2: Protein Engineering of Halohydrin Dehalogenase

The structure of Protein Engineering of Halohydrin Dehalogenase, PDB code: 3zn2 was solved by M.Schallmey, P.Jekel, L.Tang, M.Majeric-Elenkov, H.W.Hoeffken, B.Hauer, D.B.Janssen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.96 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	103.330, 103.330, 118.430, 90.00, 90.00, 90.00
R / Rfree (%)	21.237 / 26.319

The structure of Protein Engineering of Halohydrin Dehalogenase also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Sodium atom in the Protein Engineering of Halohydrin Dehalogenase (pdb code 3zn2). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Protein Engineering of Halohydrin Dehalogenase, PDB code: 3zn2:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Protein Engineering of Halohydrin Dehalogenase


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Protein Engineering of Halohydrin Dehalogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1258 b:43.9 occ:1.00 O A:HOH2123 2.5 30.9 1.0 O A:HOH2124 2.7 36.5 1.0 OH A:TYR145 3.0 15.7 1.0 OG A:SER132 3.1 12.1 1.0 CE2 A:TYR145 3.7 18.1 1.0 CB A:SER132 3.8 14.3 1.0 CZ A:TYR145 3.8 17.1 1.0 OD1 A:ASN176 3.9 23.8 1.0 O A:PRO175 4.1 15.3 1.0 O A:HOH2125 4.3 13.2 1.0 CG A:ASN176 4.6 27.8 1.0 CD1 A:PHE186 4.6 18.9 1.0 CA A:SER132 4.7 12.7 1.0 CG A:PHE186 4.8 18.7 1.0 CE1 A:PHE186 5.0 20.1 1.0 CD2 A:TYR145 5.0 16.4 1.0

Sodium binding site 2 out of 3 in the Protein Engineering of Halohydrin Dehalogenase


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Protein Engineering of Halohydrin Dehalogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1259 b:35.9 occ:1.00 O A:HOH2110 2.4 20.7 1.0 OE2 A:GLU141 2.4 30.0 1.0 O A:HOH2174 3.1 17.1 1.0 O A:HOH2173 3.4 33.6 1.0 CD A:GLU141 3.4 26.1 1.0 CE2 B:TYR166 3.9 29.2 1.0 CG A:GLU141 3.9 20.8 1.0 CB B:GLU162 3.9 19.4 1.0 O B:GLU162 4.0 24.0 1.0 O A:HOH2112 4.0 41.5 1.0 OH B:TYR166 4.0 33.0 1.0 CB A:PRO88 4.3 23.0 1.0 OE1 B:GLU165 4.4 32.8 1.0 OE1 A:GLU141 4.4 26.4 1.0 CG A:PRO88 4.5 24.8 1.0 CA B:GLU162 4.5 18.9 1.0 CZ B:TYR166 4.5 32.2 1.0 C B:GLU162 4.5 19.8 1.0 OE1 B:GLU162 4.6 21.2 1.0 NZ B:LYS120 4.6 22.4 1.0 CD A:LYS140 4.7 34.3 1.0 CD2 B:TYR166 4.9 27.8 1.0 CG B:GLU162 4.9 19.1 1.0 CA A:PRO88 4.9 21.7 1.0

Sodium binding site 3 out of 3 in the Protein Engineering of Halohydrin Dehalogenase


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Protein Engineering of Halohydrin Dehalogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1255 b:44.9 occ:1.00 O B:HOH2123 1.9 40.5 1.0 O B:HOH2087 2.7 24.6 1.0 OH B:TYR145 3.0 14.3 1.0 OG B:SER132 3.0 15.4 1.0 CE2 B:TYR145 3.7 17.4 1.0 CB B:SER132 3.7 15.6 1.0 CZ B:TYR145 3.7 18.4 1.0 O B:PRO175 4.2 20.0 1.0 OD1 B:ASN176 4.2 22.6 1.0 O B:HOH2088 4.3 17.4 1.0 CD2 B:PHE186 4.4 19.9 1.0 CG B:PHE186 4.6 20.0 1.0 CA B:SER132 4.7 15.6 1.0 CE2 B:PHE186 4.7 20.5 1.0 CD2 B:TYR145 4.9 18.2 1.0 CG B:ASN176 4.9 25.6 1.0 CB B:ALA134 5.0 15.2 1.0 CE1 B:TYR145 5.0 19.1 1.0

M.Schallmey, P.Jekel, L.Tang, M.Majeric-Elenkov, H.W.Hoeffken, B.Hauer, D.B.Janssen. Aprotein Engineering of Halohydrin Dehalogenase To Be Published.