Sodium in PDB 3ui6: 0.89 A Resolution Crystal Structure of Human Parvulin 14 in Complex with Oxidized Dtt

All present enzymatic activity of 0.89 A Resolution Crystal Structure of Human Parvulin 14 in Complex with Oxidized Dtt:
5.2.1.8;

The structure of 0.89 A Resolution Crystal Structure of Human Parvulin 14 in Complex with Oxidized Dtt, PDB code: 3ui6 was solved by J.W.Mueller, N.M.Link, A.Matena, L.Hoppstock, A.Rueppel, P.Bayer, W.Blankenfeldt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.84 / 0.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.240, 47.020, 51.850, 90.00, 90.00, 90.00
R / Rfree (%)	10.3 / 11.6

The binding sites of Sodium atom in the 0.89 A Resolution Crystal Structure of Human Parvulin 14 in Complex with Oxidized Dtt (pdb code 3ui6). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the 0.89 A Resolution Crystal Structure of Human Parvulin 14 in Complex with Oxidized Dtt, PDB code: 3ui6:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the 0.89 A Resolution Crystal Structure of Human Parvulin 14 in Complex with Oxidized Dtt


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of 0.89 A Resolution Crystal Structure of Human Parvulin 14 in Complex with Oxidized Dtt within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2007 b:16.9 occ:1.00 O A:HOH5094 3.1 53.6 1.0 N A:HIS48 3.1 4.2 1.0 CB A:HIS48 3.6 4.5 1.0 CA A:LYS47 3.8 5.3 0.5 CA A:LYS47 3.9 4.8 0.5 CA A:HIS48 4.0 3.8 1.0 C A:LYS47 4.0 4.3 1.0 O1 A:SO42005 4.1 11.3 0.5 CE2 A:TYR122 4.1 4.1 1.0 CB A:LYS47 4.4 7.0 0.5 O A:GLU46 4.4 6.9 1.0 CD A:LYS47 4.4 12.1 0.5 OH A:TYR122 4.4 6.1 1.0 CZ A:TYR122 4.7 4.6 1.0 CB A:LYS47 4.7 5.2 0.5 CG A:LYS47 4.8 10.4 0.5 N A:GLY49 5.0 4.0 1.0 N A:LYS47 5.0 4.7 1.0 CG A:HIS48 5.0 4.4 1.0

Sodium binding site 2 out of 2 in the 0.89 A Resolution Crystal Structure of Human Parvulin 14 in Complex with Oxidized Dtt


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of 0.89 A Resolution Crystal Structure of Human Parvulin 14 in Complex with Oxidized Dtt within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2008 b:10.8 occ:1.00 O A:HOH5114 2.7 22.8 1.0 O A:HOH5149 2.7 23.6 1.0 N A:LYS119 3.0 5.5 1.0 CA A:THR118 3.5 4.2 1.0 CG2 A:VAL91 3.5 7.4 1.0 NZ A:LYS119 3.5 14.5 0.6 CG A:LYS119 3.6 8.0 0.5 CB A:THR118 3.6 4.3 1.0 CD A:PRO93 3.6 6.2 1.0 C A:THR118 3.7 4.7 1.0 CG A:PRO93 3.9 6.4 1.0 CG A:LYS119 4.0 7.1 0.6 CB A:LYS119 4.0 6.3 0.5 CB A:LYS119 4.0 5.8 0.6 CA A:LYS119 4.0 6.2 0.5 CA A:LYS119 4.1 6.2 0.6 CD A:LYS119 4.2 12.2 0.5 CG2 A:THR118 4.4 4.4 1.0 CE A:LYS119 4.6 7.7 0.6 O A:HOH5106 4.6 27.1 1.0 OG1 A:THR118 4.7 4.8 1.0 CD A:LYS119 4.8 7.7 0.6 N A:THR118 4.8 3.7 1.0 CB A:VAL91 4.8 5.7 1.0 O A:THR118 4.8 5.4 1.0 CG1 A:VAL91 4.9 6.9 1.0 O A:LYS117 4.9 5.0 1.0

J.W.Mueller, N.M.Link, A.Matena, L.Hoppstock, A.Rueppel, P.Bayer, W.Blankenfeldt. 0.89 A Resolution Crystal Structure of Human Parvulin 14 in Complex with Oxidized Dtt To Be Published.