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Sodium in PDB 3zn2: Protein Engineering of Halohydrin Dehalogenase

Protein crystallography data

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

Other elements in 3zn2:

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

Potassium (K) 1 atom

Sodium Binding Sites:

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 3zn2

Go back to Sodium Binding Sites List in 3zn2
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 3zn2

Go back to Sodium Binding Sites List in 3zn2
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 3zn2

Go back to Sodium Binding Sites List in 3zn2
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

Reference:

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.
Page generated: Mon Oct 7 14:07:02 2024

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