Potassium in PDB 3sza: Crystal Structure of Human ALDH3A1 - Apo Form

All present enzymatic activity of Crystal Structure of Human ALDH3A1 - Apo Form:
1.2.1.5;

The structure of Crystal Structure of Human ALDH3A1 - Apo Form, PDB code: 3sza was solved by M.Khanna, T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.412, 86.080, 170.396, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 18.7

The binding sites of Potassium atom in the Crystal Structure of Human ALDH3A1 - Apo Form (pdb code 3sza). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of Human ALDH3A1 - Apo Form, PDB code: 3sza:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Crystal Structure of Human ALDH3A1 - Apo Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Human ALDH3A1 - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:K602 b:12.3 occ:1.00 O A:HOH460 2.7 10.8 1.0 O A:ASP322 2.7 9.1 1.0 O A:HOH872 2.8 16.7 1.0 O A:HOH640 3.1 12.4 1.0 O A:THR321 3.2 8.1 1.0 C A:ASP322 3.5 8.5 1.0 CB A:ASP322 4.2 9.0 1.0 CA A:VAL323 4.2 7.8 1.0 CB A:LYS301 4.2 8.8 1.0 N A:VAL323 4.3 8.0 1.0 N A:LYS301 4.3 8.7 1.0 OE1 A:GLN300 4.3 10.2 1.0 C A:THR321 4.3 7.1 1.0 CA A:ASP322 4.4 8.3 1.0 N A:ASP324 4.8 8.9 1.0 N A:ASP322 4.8 8.0 1.0 C A:VAL323 4.9 8.6 1.0 CA A:LYS301 4.9 8.4 1.0

Potassium binding site 2 out of 4 in the Crystal Structure of Human ALDH3A1 - Apo Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Human ALDH3A1 - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:K603 b:39.0 occ:1.00 O A:HOH1065 2.6 37.2 1.0 O A:HOH564 2.7 36.9 1.0 O A:LYS439 2.7 28.9 1.0 O A:TYR442 2.8 21.7 1.0 C A:TYR442 3.8 20.6 1.0 C A:LYS439 3.8 29.0 1.0 O A:HOH528 4.0 28.8 1.0 O A:PRO444 4.0 23.0 1.0 O A:VAL440 4.2 26.3 1.0 CB A:TYR442 4.2 20.0 1.0 N A:TYR442 4.2 21.2 1.0 CA A:TYR442 4.3 20.6 1.0 C A:VAL440 4.4 26.5 1.0 CA A:VAL440 4.4 27.8 1.0 O A:PRO443 4.5 20.4 1.0 N A:VAL440 4.5 28.2 1.0 C A:PRO443 4.6 20.8 1.0 CA A:LYS439 4.8 29.9 1.0 O A:HOH615 4.9 27.3 1.0 N A:PRO444 4.9 21.9 1.0 CB A:LYS439 4.9 30.3 1.0 N A:PRO443 4.9 20.7 1.0

Potassium binding site 3 out of 4 in the Crystal Structure of Human ALDH3A1 - Apo Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of Human ALDH3A1 - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:K601 b:20.4 occ:1.00 O B:GLU79 2.6 14.3 1.0 O B:HOH559 2.7 28.5 1.0 O B:ALA82 2.8 10.3 1.0 O B:HOH524 2.9 20.4 1.0 O B:TRP80 3.0 12.1 1.0 C B:TRP80 3.5 11.8 1.0 C B:ALA82 3.8 9.4 1.0 O B:HOH824 3.8 18.7 1.0 C B:GLU79 3.8 13.3 1.0 CA B:TRP80 3.8 11.7 1.0 N B:ALA82 3.9 9.6 1.0 O B:HOH561 3.9 11.4 1.0 CB B:ALA82 4.1 11.6 1.0 CA B:ALA82 4.1 10.2 1.0 CB B:GLU84 4.2 10.5 1.0 N B:TRP80 4.3 12.5 1.0 N B:ALA81 4.4 10.8 1.0 C B:ALA81 4.5 10.8 1.0 OE1 B:GLU84 4.6 21.8 1.0 O B:ASP83 4.7 12.5 1.0 C B:ASP83 4.7 10.5 1.0 CA B:GLU84 4.8 9.1 1.0 N B:GLU84 4.8 9.3 1.0 CG B:GLU84 4.8 11.9 1.0 N B:ASP83 4.9 10.7 1.0 CA B:ALA81 4.9 10.8 1.0

Potassium binding site 4 out of 4 in the Crystal Structure of Human ALDH3A1 - Apo Form


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of Human ALDH3A1 - Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:K603 b:23.9 occ:1.00 O B:LYS439 2.6 15.8 1.0 O B:TYR442 2.7 11.5 1.0 O B:HOH808 2.8 23.6 1.0 O B:HOH926 2.9 31.6 1.0 O B:HOH766 2.9 24.8 1.0 C B:LYS439 3.7 16.2 1.0 C B:TYR442 3.7 10.6 1.0 O B:PRO444 4.0 13.0 1.0 O B:VAL440 4.1 15.8 1.0 N B:TYR442 4.1 10.6 1.0 C B:VAL440 4.2 14.6 1.0 CA B:TYR442 4.2 9.9 1.0 CA B:VAL440 4.2 16.4 1.0 CB B:TYR442 4.2 9.9 1.0 N B:VAL440 4.4 15.6 1.0 O B:HOH746 4.4 21.7 1.0 O B:HOH582 4.5 15.5 1.0 O B:HOH798 4.5 20.2 1.0 O B:PRO443 4.7 11.3 1.0 C B:PRO443 4.7 10.8 1.0 CA B:LYS439 4.8 16.9 1.0 N B:ARG441 4.9 12.2 1.0 N B:PRO443 4.9 10.1 1.0 CB B:LYS439 4.9 17.9 1.0 O B:HOH825 4.9 32.5 1.0 C B:ARG441 5.0 10.9 1.0

M.Khanna, C.H.Chen, A.Kimble-Hill, B.Parajuli, S.Perez-Miller, S.Baskaran, J.Kim, K.Dria, V.Vasiliou, D.Mochly-Rosen, T.D.Hurley. Discovery of A Novel Class of Covalent Inhibitor For Aldehyde Dehydrogenases. J.Biol.Chem. V. 286 43486 2011.
ISSN: ISSN 0021-9258
PubMed: 22021038
DOI: 10.1074/JBC.M111.293597