Sodium in PDB 1ynq: Aldo-Keto Reductase AKR11C1 From Bacillus Halodurans (Holo Form)

The structure of Aldo-Keto Reductase AKR11C1 From Bacillus Halodurans (Holo Form), PDB code: 1ynq was solved by T.Marquardt, D.Kostrewa, F.K.Winkler, X.D.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.42 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.122, 87.543, 105.434, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 18.5

The binding sites of Sodium atom in the Aldo-Keto Reductase AKR11C1 From Bacillus Halodurans (Holo Form) (pdb code 1ynq). 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 Aldo-Keto Reductase AKR11C1 From Bacillus Halodurans (Holo Form), PDB code: 1ynq:

Sodium binding site 1 out of 1 in the Aldo-Keto Reductase AKR11C1 From Bacillus Halodurans (Holo Form)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Aldo-Keto Reductase AKR11C1 From Bacillus Halodurans (Holo Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na299 b:20.9 occ:1.00 OE2 A:GLU181 2.6 12.3 1.0 O A:HOH340 2.7 17.2 1.0 O B:ILE143 2.8 9.6 1.0 O B:LYS138 3.3 16.3 1.0 CG A:GLU181 3.4 11.2 1.0 CD A:GLU181 3.4 10.0 1.0 CA B:GLY141 3.5 13.8 1.0 O B:HOH368 3.7 25.4 1.0 C B:ILE143 3.7 8.9 1.0 CA B:ARG144 3.8 9.7 1.0 O B:HOH321 4.0 15.0 1.0 N B:ARG144 4.1 10.2 1.0 N B:GLY141 4.2 13.7 1.0 C B:GLY141 4.2 12.2 1.0 C B:LYS138 4.3 14.1 1.0 O B:GLY141 4.4 14.7 1.0 CG B:LYS138 4.4 14.9 1.0 O B:ARG144 4.5 11.1 1.0 NH2 A:ARG296 4.5 10.9 1.0 CG B:ARG144 4.5 10.2 1.0 CA B:LYS138 4.5 13.1 1.0 O A:GLU181 4.6 11.3 1.0 C B:ARG144 4.6 10.0 1.0 OE1 A:GLU181 4.6 11.1 1.0 CB B:ARG144 4.7 9.8 1.0 CH2 A:TRP182 4.8 15.1 1.0 N B:ILE143 4.9 10.2 1.0 CZ3 A:TRP182 4.9 14.6 1.0 CB A:GLU181 4.9 10.6 1.0 O B:HOH318 4.9 13.3 1.0 CA B:ILE143 5.0 9.4 1.0 N B:VAL142 5.0 11.2 1.0

T.Marquardt, D.Kostrewa, R.Balakrishnan, A.Gasperina, C.Kambach, A.Podjarny, F.K.Winkler, G.K.Balendiran, X.D.Li. High-Resolution Crystal Structure of AKR11C1 From Bacillus Halodurans: An Nadph-Dependent 4-Hydroxy-2,3-Trans-Nonenal Reductase J.Mol.Biol. V. 354 304 2005.
ISSN: ISSN 0022-2836
PubMed: 16242712
DOI: 10.1016/J.JMB.2005.09.067