Sodium in PDB 6qhe: Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+

All present enzymatic activity of Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+:
1.1.1.1;

The structure of Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+, PDB code: 6qhe was solved by C.Lockie, L.Beloti, T.Shanati, M.Ansorge-Schumacher, G.Grogan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.28 / 1.83
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	80.731, 119.041, 348.578, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18.2

The binding sites of Sodium atom in the Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+ (pdb code 6qhe). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+, PDB code: 6qhe:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Na302 b:33.6 occ:1.00 O D:HOH516 1.8 34.1 1.0 O A:HOH442 1.9 31.1 1.0 O D:HOH444 2.0 32.0 1.0 O D:HOH431 2.1 36.2 1.0 O A:HOH412 2.2 34.4 1.0 O A:HOH488 2.4 30.6 1.0 O D:ALA256 3.6 28.7 1.0 O A:ALA256 3.6 30.7 1.0 O D:HOH404 4.0 39.4 1.0 O A:HOH403 4.3 34.3 1.0 O A:HOH439 4.3 37.8 1.0 O D:HOH440 4.3 40.8 1.0 O D:THR254 4.4 27.0 1.0 O A:THR254 4.4 27.9 1.0 O D:PHE253 4.6 23.7 1.0 O A:PHE253 4.6 23.8 1.0 O D:HOH417 4.6 44.1 1.0 O A:HOH460 4.7 39.6 1.0 C D:THR254 4.8 25.0 1.0 C D:ALA256 4.9 26.8 1.0 C A:THR254 4.9 27.4 1.0 CA D:THR254 4.9 24.1 1.0 C A:ALA256 4.9 27.2 1.0 CA A:THR254 4.9 22.4 1.0 CG1 D:VAL147 4.9 23.9 1.0 CG1 A:VAL147 5.0 26.3 1.0 O A:GLU257 5.0 30.2 1.0

Sodium binding site 2 out of 4 in the Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Na302 b:59.7 occ:1.00 O B:HOH404 2.2 35.7 1.0 O B:HOH499 2.3 33.7 0.5 O B:ALA256 4.2 32.5 1.0 O B:PHE253 4.2 27.5 1.0 CG1 B:VAL147 4.3 28.2 1.0 O B:THR254 4.4 28.5 1.0 CA B:THR254 4.5 27.7 1.0 C B:THR254 4.7 26.6 1.0

Sodium binding site 3 out of 4 in the Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ C:Na302 b:36.0 occ:1.00 O F:HOH423 1.9 33.0 1.0 O C:HOH414 2.0 31.6 1.0 O C:HOH520 2.1 34.1 1.0 O F:HOH411 2.1 36.4 1.0 O C:HOH440 2.2 35.4 1.0 O F:HOH510 2.2 37.8 1.0 O F:ALA256 3.5 31.8 1.0 O C:ALA256 3.7 30.8 1.0 O F:THR254 4.2 27.1 1.0 O C:HOH439 4.3 37.6 1.0 O F:HOH467 4.3 40.7 1.0 O C:THR254 4.3 25.6 1.0 O F:PHE253 4.5 25.2 1.0 C F:THR254 4.6 24.5 1.0 O C:PHE253 4.7 23.5 1.0 CA F:THR254 4.8 26.1 1.0 C F:ALA256 4.8 28.9 1.0 C C:THR254 4.8 26.8 1.0 CG1 C:VAL147 4.9 27.4 1.0 C C:ALA256 4.9 28.4 1.0 CA C:THR254 4.9 26.5 1.0 CG1 F:VAL147 4.9 23.4 1.0

Sodium binding site 4 out of 4 in the Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Alcohol Dehydrogenase From Arthrobacter Sp. Ts-15 in Complex with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ E:Na301 b:45.3 occ:0.50 O E:HOH411 2.0 31.8 1.0 O E:ALA256 3.6 26.1 1.0 O E:HOH446 3.9 34.3 1.0 O E:THR254 4.3 23.9 1.0 O E:PHE253 4.6 24.7 1.0 C E:THR254 4.7 24.9 1.0 CA E:THR254 4.8 23.6 1.0 C E:ALA256 4.8 27.0 1.0 O E:HOH422 4.8 48.0 1.0 CG1 E:VAL147 4.9 24.2 1.0 O E:GLU257 5.0 27.7 1.0

T.Shanati, C.Lockie, L.Beloti, G.Grogan, M.Ansorge-Schumacher. Two Enantiocomplementary Ephedrine Dehydrogenases From Arthrobacter Sp. Ts-15 with Broad Substrate Specificity Acs Catalysis V. 9 6202 2019.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.9B00621