Sodium in PDB 3ui5: Crystal Structure of Human Parvulin 14

All present enzymatic activity of Crystal Structure of Human Parvulin 14:
5.2.1.8;

The structure of Crystal Structure of Human Parvulin 14, PDB code: 3ui5 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 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.170, 47.060, 51.830, 90.00, 90.00, 90.00
R / Rfree (%)	9.6 / 13.7

The binding sites of Sodium atom in the Crystal Structure of Human Parvulin 14 (pdb code 3ui5). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human Parvulin 14, PDB code: 3ui5:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Human Parvulin 14


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human Parvulin 14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na206 b:14.5 occ:1.00 O A:HOH449 2.7 56.4 1.0 N A:HIS48 3.2 5.5 1.0 O A:HOH314 3.5 12.8 1.0 CB A:HIS48 3.7 5.3 1.0 CA A:LYS47 3.8 5.8 1.0 C A:LYS47 4.0 5.4 1.0 CA A:HIS48 4.1 4.6 1.0 CE2 A:TYR122 4.2 5.1 1.0 O A:GLU46 4.3 7.9 1.0 CD A:LYS47 4.3 23.1 1.0 CB A:LYS47 4.5 8.0 1.0 OH A:TYR122 4.5 7.5 1.0 CZ A:TYR122 4.8 4.8 1.0 N A:LYS47 4.9 5.0 1.0 O A:HOH413 5.0 28.0 1.0 CG A:LYS47 5.0 13.4 1.0 N A:GLY49 5.0 5.0 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human Parvulin 14


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Human Parvulin 14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na207 b:12.7 occ:1.00 O A:HOH409 2.8 25.7 1.0 O A:HOH341 2.8 37.4 1.0 N A:LYS119 3.0 6.2 1.0 CA A:THR118 3.5 4.6 1.0 CG2 A:VAL91 3.5 10.8 1.0 CB A:THR118 3.6 4.7 1.0 C A:THR118 3.6 5.6 1.0 CD A:PRO93 3.7 5.7 1.0 CG A:PRO93 3.9 6.5 1.0 CG A:LYS119 4.0 13.1 1.0 CB A:LYS119 4.0 12.4 1.0 CA A:LYS119 4.0 8.2 1.0 CG2 A:THR118 4.4 5.2 1.0 O A:HOH450 4.6 33.9 1.0 O A:HOH333 4.6 30.8 1.0 CE A:LYS119 4.6 13.2 1.0 OG1 A:THR118 4.7 5.4 1.0 CB A:VAL91 4.7 7.2 1.0 CD A:LYS119 4.8 14.1 1.0 N A:THR118 4.8 4.2 1.0 O A:THR118 4.8 6.2 1.0 CG1 A:VAL91 4.9 7.8 1.0 O A:LYS117 4.9 5.6 1.0

J.W.Mueller, N.M.Link, A.Matena, L.Hoppstock, A.Ruppel, P.Bayer, W.Blankenfeldt. Crystallographic Proof For An Extended Hydrogen-Bonding Network in Small Prolyl Isomerases. J.Am.Chem.Soc. V. 133 20096 2011.
ISSN: ISSN 0002-7863
PubMed: 22081960
DOI: 10.1021/JA2086195