Sodium in PDB 4xk2: Crystal Structure of Aldo-Keto Reductase From Polaromonas Sp. JS666

The structure of Crystal Structure of Aldo-Keto Reductase From Polaromonas Sp. JS666, PDB code: 4xk2 was solved by O.A.Gasiorowska, K.B.Handing, I.G.Shabalin, P.Sroka, B.S.Hillerich, J.Bonanno, R.Seidel, S.C.Almo, W.Minor, New York Structural Genomicsresearch Consortium (Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	105.110, 105.110, 479.569, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.5

The structure of Crystal Structure of Aldo-Keto Reductase From Polaromonas Sp. JS666 also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Sodium atom in the Crystal Structure of Aldo-Keto Reductase From Polaromonas Sp. JS666 (pdb code 4xk2). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of Aldo-Keto Reductase From Polaromonas Sp. JS666, PDB code: 4xk2:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Crystal Structure of Aldo-Keto Reductase From Polaromonas Sp. JS666


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 Aldo-Keto Reductase From Polaromonas Sp. JS666 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:43.4 occ:1.00 O A:HOH588 2.3 41.2 1.0 OD1 A:ASN8 2.4 36.2 1.0 O A:ASN8 2.6 28.2 1.0 O A:HOH563 2.7 30.0 1.0 CG A:ASN8 3.2 33.7 1.0 C A:ASN8 3.2 28.0 1.0 CA A:ASN8 3.4 28.9 1.0 CB A:ASN8 3.9 30.8 1.0 O A:HOH634 3.9 49.5 1.0 ND2 A:ASN8 4.0 35.3 1.0 N A:GLY10 4.1 26.5 1.0 O A:HOH555 4.1 55.0 1.0 O A:HOH803 4.2 64.7 1.0 N A:SER9 4.3 26.8 1.0 CA A:GLY10 4.7 26.6 1.0 O A:GLY7 4.7 27.4 1.0 C A:SER9 4.7 26.6 1.0 N A:ASN8 4.8 27.7 1.0 O A:HOH601 5.0 26.8 1.0 CA A:SER9 5.0 26.6 1.0

Sodium binding site 2 out of 3 in the Crystal Structure of Aldo-Keto Reductase From Polaromonas Sp. JS666


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 Aldo-Keto Reductase From Polaromonas Sp. JS666 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na402 b:45.0 occ:0.50 O B:HOH537 1.8 63.0 1.0 OD1 B:ASN8 2.2 65.4 1.0 O B:HOH542 2.3 41.5 0.5 O B:ASN8 2.7 48.8 1.0 CG B:ASN8 3.0 59.8 1.0 O B:HOH523 3.1 46.7 1.0 C B:ASN8 3.3 50.1 1.0 CA B:ASN8 3.5 50.6 1.0 ND2 B:ASN8 3.8 62.0 1.0 CB B:ASN8 3.8 54.4 1.0 N B:GLY10 4.4 47.6 1.0 N B:SER9 4.4 47.5 1.0 O B:HOH552 4.6 46.0 1.0 N B:ASN8 4.9 49.8 1.0 CA B:GLY10 4.9 46.8 1.0 O B:GLY7 4.9 50.4 1.0 C B:SER9 4.9 47.1 1.0

Sodium binding site 3 out of 3 in the Crystal Structure of Aldo-Keto Reductase From Polaromonas Sp. JS666


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of Aldo-Keto Reductase From Polaromonas Sp. JS666 within 5.0Å range: probe atom residue distance (Å) B Occ C:Na403 b:53.9 occ:1.00 O C:HOH556 2.3 45.7 1.0 OD1 C:ASN8 2.4 32.6 0.5 O C:ASN8 2.7 31.3 1.0 O C:HOH542 3.0 33.7 1.0 CG C:ASN8 3.2 31.9 0.5 C C:ASN8 3.3 31.2 1.0 CA C:ASN8 3.5 31.5 0.5 CA C:ASN8 3.5 30.9 0.5 O C:HOH521 3.9 57.5 1.0 CB C:ASN8 3.9 32.7 0.5 CB C:ASN8 3.9 31.3 0.5 ND2 C:ASN8 4.0 32.0 0.5 OD1 C:ASN8 4.0 35.9 0.5 O C:HOH554 4.2 47.8 0.5 CG C:ASN8 4.2 33.9 0.5 N C:GLY10 4.3 30.6 1.0 N C:SER9 4.4 30.2 1.0 O C:HOH751 4.4 63.1 1.0 CA C:GLY10 4.8 30.9 1.0 C C:SER9 4.9 30.7 1.0 O C:HOH572 4.9 32.1 1.0 O C:GLY7 4.9 30.5 1.0 N C:ASN8 4.9 30.5 1.0

O.A.Gasiorowska, K.B.Handing, I.G.Shabalin, P.Sroka, W.Minor. Crystal Structure of Aldo-Keto Reductase From Polaromonas Sp. JS666 To Be Published.