Sodium in PDB 4hu7: E. Coli Thioredoxin Variant with PRO76 As Single Proline Residue

The structure of E. Coli Thioredoxin Variant with PRO76 As Single Proline Residue, PDB code: 4hu7 was solved by R.Glockshuber, M.A.Scharer, G.Capitani, M.Rubini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.59 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	33.850, 60.880, 45.330, 90.00, 100.38, 90.00
R / Rfree (%)	16.2 / 19.8

The structure of E. Coli Thioredoxin Variant with PRO76 As Single Proline Residue also contains other interesting chemical elements:

Copper

(Cu)

2 atoms

The binding sites of Sodium atom in the E. Coli Thioredoxin Variant with PRO76 As Single Proline Residue (pdb code 4hu7). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the E. Coli Thioredoxin Variant with PRO76 As Single Proline Residue, PDB code: 4hu7:

Sodium binding site 1 out of 1 in the E. Coli Thioredoxin Variant with PRO76 As Single Proline Residue


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of E. Coli Thioredoxin Variant with PRO76 As Single Proline Residue within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:15.6 occ:1.00 O A:HOH336 3.0 19.1 1.0 O B:HOH324 3.2 25.9 1.0 N A:VAL91 3.3 10.5 1.0 CB A:VAL91 3.8 11.3 1.0 O B:HOH352 3.8 36.4 1.0 CG2 A:VAL91 3.8 13.5 1.0 O A:THR89 3.9 9.7 1.0 CA A:LYS90 4.0 8.6 1.0 O A:HOH384 4.1 37.8 1.0 CA A:VAL91 4.1 9.7 1.0 C A:LYS90 4.2 10.7 1.0 O A:HOH404 4.3 20.8 1.0 CD A:LYS90 4.4 15.8 1.0 C A:THR89 4.5 8.2 1.0 O A:VAL91 4.7 10.3 1.0 N A:LYS90 4.7 8.3 1.0 NZ A:LYS90 4.8 20.6 1.0 CE A:LYS90 4.9 19.3 1.0 NZ B:LYS82 4.9 20.0 1.0 C A:VAL91 4.9 10.0 1.0

M.Rubini, M.A.Scharer, G.Capitani, R.Glockshuber. (4R)- and (4S)-Fluoroproline in the Conserved Cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering. Chembiochem V. 14 1053 2013.
ISSN: ISSN 1439-4227
PubMed: 23712956
DOI: 10.1002/CBIC.201300178