Sodium in PDB 8hwn: Aldo-Keto Reductase Depb

The structure of Aldo-Keto Reductase Depb, PDB code: 8hwn was solved by M.Chen, H.Yang, F.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.72 / 2.70
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	83.2, 98.288, 174.785, 90, 90, 90
R / Rfree (%)	23.5 / 30.6

The structure of Aldo-Keto Reductase Depb also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Sodium atom in the Aldo-Keto Reductase Depb (pdb code 8hwn). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 7 binding sites of Sodium where determined in the Aldo-Keto Reductase Depb, PDB code: 8hwn:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6; 7;

Sodium binding site 1 out of 7 in the Aldo-Keto Reductase Depb


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 Depb within 5.0Å range: probe atom residue distance (Å) B Occ B:Na401 b:31.8 occ:1.00 O B:VAL277 3.8 44.5 1.0 CB B:ALA278 3.9 26.9 1.0 CA B:ALA278 3.9 39.0 1.0 CG1 B:VAL277 3.9 30.9 1.0 C B:VAL277 4.0 39.3 1.0 N B:ALA278 4.1 40.9 1.0 NZ B:LYS5 4.3 29.4 1.0 CB B:VAL277 4.5 44.1 1.0 CA B:VAL277 4.9 41.8 1.0

Sodium binding site 2 out of 7 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Aldo-Keto Reductase Depb within 5.0Å range: probe atom residue distance (Å) B Occ B:Na402 b:34.6 occ:1.00 CD2 B:LEU6 2.5 42.5 1.0 N B:LEU6 3.2 39.4 1.0 CA B:LYS5 3.5 34.1 1.0 CB B:LYS5 3.6 33.8 1.0 CG B:LEU6 3.7 52.1 1.0 C B:LYS5 3.8 41.7 1.0 CB B:LEU6 4.3 47.0 1.0 CA B:LEU6 4.3 34.2 1.0 O B:HOH509 4.3 29.8 1.0 CG B:LYS5 4.4 43.1 1.0 O B:LEU6 4.6 40.3 1.0 OH B:TYR3 4.7 82.2 1.0 O B:ARG4 4.7 42.8 1.0 N B:LYS5 4.8 41.9 1.0 CD1 B:LEU6 4.9 45.2 1.0 C B:LEU6 4.9 41.9 1.0

Sodium binding site 3 out of 7 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Aldo-Keto Reductase Depb within 5.0Å range:

Sodium binding site 4 out of 7 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Aldo-Keto Reductase Depb within 5.0Å range: probe atom residue distance (Å) B Occ A:Na401 b:42.5 occ:1.00 CD2 A:LEU6 2.5 53.2 1.0 N A:LEU6 3.2 46.1 1.0 CA A:LYS5 3.6 39.5 1.0 CB A:LYS5 3.7 41.2 1.0 CG A:LEU6 3.8 48.1 1.0 O A:HOH505 3.8 38.5 1.0 C A:LYS5 3.8 39.5 1.0 CG A:LYS5 4.2 41.6 1.0 CA A:LEU6 4.2 42.9 1.0 CB A:LEU6 4.2 45.7 1.0 O A:LEU6 4.4 48.9 1.0 C A:LEU6 4.7 46.6 1.0 N A:LYS5 4.9 45.8 1.0 CD1 A:LEU6 4.9 34.1 1.0 O A:ARG4 5.0 40.3 1.0

Sodium binding site 5 out of 7 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Aldo-Keto Reductase Depb within 5.0Å range: probe atom residue distance (Å) B Occ A:Na402 b:57.5 occ:1.00 CL A:CL403 3.2 74.1 1.0

Sodium binding site 6 out of 7 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Aldo-Keto Reductase Depb within 5.0Å range: probe atom residue distance (Å) B Occ C:Na401 b:45.8 occ:1.00 O C:LYS81 2.6 44.3 1.0 OG C:SER107 2.7 46.7 1.0 OH C:TYR119 3.1 46.8 1.0 ND2 C:ASN51 3.1 48.1 1.0 O C:ALA103 3.2 57.6 1.0 CG C:ASN51 3.4 51.8 1.0 CB C:ASN51 3.6 53.8 1.0 CE1 C:TYR119 3.7 51.2 1.0 C C:LYS81 3.7 45.9 1.0 C C:ALA103 3.7 54.0 1.0 CB C:SER107 3.7 51.1 1.0 CZ C:TYR119 3.8 46.4 1.0 CA C:GLY82 4.0 42.0 1.0 CB C:ALA103 4.1 44.7 1.0 OD1 C:ASN51 4.1 52.7 1.0 N C:GLY82 4.2 44.7 1.0 CA C:ALA103 4.4 49.4 1.0 N C:LEU104 4.4 49.1 1.0 OE2 C:GLU59 4.5 60.2 1.0 CA C:LEU104 4.6 48.4 1.0 OG1 C:THR80 4.7 49.2 1.0 N C:ASN51 4.8 56.5 1.0 CA C:ASN51 4.8 54.5 1.0 CA C:SER107 4.9 53.6 1.0 N C:LYS81 4.9 44.6 1.0 CA C:LYS81 4.9 49.7 1.0 N C:SER107 4.9 56.0 1.0 CD1 C:TYR119 4.9 50.0 1.0 CG2 C:THR80 5.0 44.2 1.0

Sodium binding site 7 out of 7 in the Aldo-Keto Reductase Depb


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 7 of Aldo-Keto Reductase Depb within 5.0Å range: probe atom residue distance (Å) B Occ D:Na401 b:43.1 occ:1.00 CD2 D:LEU118 4.0 38.5 1.0 CG1 D:VAL13 4.4 44.7 1.0 CG1 D:VAL77 4.4 44.2 1.0 CB D:LEU118 4.4 40.4 1.0 CD2 D:TYR148 4.5 36.7 1.0 CZ D:PHE46 4.6 36.7 1.0 O D:LEU6 4.7 50.7 1.0 OG D:SER9 4.7 41.5 1.0 CG D:LEU118 4.7 43.1 1.0 CG2 D:VAL175 4.7 36.4 1.0 O D:GLY7 4.8 50.0 1.0 CE2 D:TYR148 4.8 31.9 1.0 CE1 D:PHE46 4.8 41.6 1.0 CB D:THR11 5.0 38.3 1.0 CG2 D:THR11 5.0 41.4 1.0

H.Yang, F.Lu, M.Chen. The Structure of Depb Capable of Don Detoxification To Be Published.