Sodium in PDB 4jii: Crystal Structure of AKR1B10 Complexed with Nadp+ and Zopolrestat

The structure of Crystal Structure of AKR1B10 Complexed with Nadp+ and Zopolrestat, PDB code: 4jii was solved by L.Zhang, X.Zheng, H..Zhang, Y.Zhao, K.Chen, J.Zhai, X.Hu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.67 / 2.20
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	90.002, 90.002, 78.552, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 21.8

The structure of Crystal Structure of AKR1B10 Complexed with Nadp+ and Zopolrestat also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Sodium atom in the Crystal Structure of AKR1B10 Complexed with Nadp+ and Zopolrestat (pdb code 4jii). 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 Crystal Structure of AKR1B10 Complexed with Nadp+ and Zopolrestat, PDB code: 4jii:

Sodium binding site 1 out of 1 in the Crystal Structure of AKR1B10 Complexed with Nadp+ and Zopolrestat


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 AKR1B10 Complexed with Nadp+ and Zopolrestat within 5.0Å range: probe atom residue distance (Å) B Occ X:Na403 b:21.0 occ:1.00 O X:PRO212 2.8 15.1 1.0 NE2 X:HIS253 2.8 14.6 1.0 O X:LEU249 2.8 16.2 1.0 CD2 X:HIS253 3.4 14.9 1.0 CD X:PRO189 3.4 20.7 1.0 CA X:HIS188 3.5 19.4 1.0 CB X:HIS188 3.5 18.2 1.0 C X:PRO212 3.6 14.4 1.0 C X:LEU249 3.7 19.5 1.0 CA X:PRO212 3.7 13.7 1.0 CB X:LEU249 3.8 16.3 1.0 CB X:PRO212 3.8 14.8 1.0 CE1 X:HIS253 3.9 18.1 1.0 CA X:LEU249 3.9 16.3 1.0 CD2 X:LEU249 3.9 19.2 1.0 O X:CYS187 4.0 17.8 1.0 CD2 X:PHE252 4.2 19.4 1.0 N X:PRO189 4.3 22.7 1.0 C X:HIS188 4.4 22.5 1.0 CG X:LEU249 4.5 21.3 1.0 CG X:PRO189 4.5 21.7 1.0 N X:HIS188 4.5 17.7 1.0 CG X:HIS253 4.6 16.0 1.0 C X:CYS187 4.7 17.8 1.0 ND1 X:HIS253 4.8 13.5 1.0 N X:ILE250 4.8 18.2 1.0 CB X:PHE252 4.9 18.7 1.0 N X:LEU213 4.9 10.2 1.0 CE2 X:PHE252 4.9 19.2 1.0 CG X:HIS188 4.9 19.9 1.0

L.Zhang, H.Zhang, Y.Zhao, Z.Li, S.Chen, J.Zhai, Y.Chen, W.Xie, Z.Wang, Q.Li, X.Zheng, X.Hu. Inhibitor Selectivity Between Aldo-Keto Reductase Superfamily Members AKR1B10 and AKR1B1: Role of TRP112 (TRP111). Febs Lett. V. 587 3681 2013.
ISSN: ISSN 0014-5793
PubMed: 24100137
DOI: 10.1016/J.FEBSLET.2013.09.031