Sodium in PDB 8dr9: Crystal Structure of Human ALDH2 in Complex with Nad+ and Peg Mme 550

All present enzymatic activity of Crystal Structure of Human ALDH2 in Complex with Nad+ and Peg Mme 550:
1.2.1.3;

The structure of Crystal Structure of Human ALDH2 in Complex with Nad+ and Peg Mme 550, PDB code: 8dr9 was solved by S.Y.Xu, J.K.Weng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.92 / 1.50
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	119.961, 119.961, 135.287, 90, 90, 90
R / Rfree (%)	13.6 / 15.7

The binding sites of Sodium atom in the Crystal Structure of Human ALDH2 in Complex with Nad+ and Peg Mme 550 (pdb code 8dr9). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human ALDH2 in Complex with Nad+ and Peg Mme 550, PDB code: 8dr9:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Human ALDH2 in Complex with Nad+ and Peg Mme 550


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 Human ALDH2 in Complex with Nad+ and Peg Mme 550 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na603 b:14.6 occ:1.00 O A:ASP109 2.3 13.0 1.0 O A:GLN196 2.4 14.9 1.0 O A:HOH944 2.4 23.2 1.0 O A:VAL40 2.4 14.8 1.0 OD1 A:ASP109 2.5 15.2 1.0 OG1 A:THR39 2.9 15.9 1.0 C A:ASP109 3.4 11.8 1.0 CG A:ASP109 3.4 14.8 1.0 O A:HOH1042 3.5 25.7 1.0 C A:VAL40 3.5 15.7 1.0 C A:GLN196 3.6 14.2 1.0 N A:VAL40 3.7 16.2 1.0 CA A:ASP109 3.7 11.8 1.0 CB A:ASP109 4.1 12.6 1.0 CA A:VAL40 4.2 16.2 1.0 CB A:THR39 4.2 15.6 1.0 OD2 A:ASP109 4.3 15.2 1.0 C A:THR39 4.3 15.6 1.0 CD A:PRO42 4.4 14.6 1.0 CA A:GLN196 4.4 13.4 1.0 N A:THR197 4.5 12.3 1.0 N A:ASN110 4.6 11.7 1.0 CA A:THR39 4.6 15.3 1.0 CG2 A:THR197 4.6 14.4 1.0 N A:ASN41 4.6 13.8 1.0 CD1 A:ILE48 4.6 16.9 1.0 CA A:THR197 4.7 12.5 1.0 CB A:GLN196 4.9 14.9 1.0 CB A:VAL40 4.9 20.7 1.0 CG2 A:THR39 4.9 14.4 1.0 O A:VAL345 5.0 14.8 1.0 CA A:ASN41 5.0 13.4 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human ALDH2 in Complex with Nad+ and Peg Mme 550


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 Human ALDH2 in Complex with Nad+ and Peg Mme 550 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na604 b:16.8 occ:1.00 O B:VAL40 2.4 17.9 1.0 O B:GLN196 2.4 16.8 1.0 OD1 B:ASP109 2.4 17.0 1.0 O B:HOH913 2.4 24.9 1.0 O B:ASP109 2.4 14.3 1.0 OG1 B:THR39 2.9 18.4 1.0 CG B:ASP109 3.4 16.7 1.0 C B:ASP109 3.4 14.3 1.0 O B:HOH1048 3.5 24.9 1.0 C B:VAL40 3.5 19.4 1.0 C B:GLN196 3.6 16.1 1.0 N B:VAL40 3.7 19.5 1.0 CA B:ASP109 3.7 14.8 1.0 CB B:ASP109 4.1 16.4 1.0 CA B:VAL40 4.2 18.8 1.0 CB B:THR39 4.3 17.5 1.0 OD2 B:ASP109 4.3 15.4 1.0 CD B:PRO42 4.3 16.6 1.0 C B:THR39 4.4 18.0 1.0 CA B:GLN196 4.4 15.6 1.0 N B:THR197 4.6 14.2 1.0 N B:ASN41 4.6 18.1 1.0 N B:ASN110 4.6 14.4 1.0 CD1 B:ILE48 4.6 17.4 1.0 CG2 B:THR197 4.6 16.2 1.0 CA B:THR39 4.6 17.6 1.0 CA B:THR197 4.7 14.8 1.0 CB B:GLN196 4.8 16.4 1.0 CG2 B:THR39 4.9 18.6 1.0 CB B:VAL40 5.0 23.9 1.0 O B:VAL345 5.0 18.2 1.0 CA B:ASN41 5.0 16.8 1.0

S.Y.Xu, J.K.Weng. Crystal Structure of Human ALDH2 in Complex with Nad+ and Peg Mme 550 To Be Published.