Potassium in PDB 8a3x: Imine Reductase From Ensifer Adhaerens in Complex with Nadp+

The structure of Imine Reductase From Ensifer Adhaerens in Complex with Nadp+, PDB code: 8a3x was solved by A.K.Gilio, G.Grogan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.00 / 2.58
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	90.959, 57.535, 116.441, 90, 94.96, 90
R / Rfree (%)	23.6 / 28.1

The binding sites of Potassium atom in the Imine Reductase From Ensifer Adhaerens in Complex with Nadp+ (pdb code 8a3x). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Imine Reductase From Ensifer Adhaerens in Complex with Nadp+, PDB code: 8a3x:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Imine Reductase From Ensifer Adhaerens in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Imine Reductase From Ensifer Adhaerens in Complex with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ A:K302 b:52.7 occ:1.00 O A:THR94 2.7 52.7 1.0 O A:GLY118 2.7 60.6 1.0 OH A:TYR69 2.7 57.3 1.0 OD1 A:ASP117 3.0 70.4 1.0 OD1 A:ASN168 3.0 59.4 1.0 O A:GLU92 3.1 54.1 1.0 CG A:ASP117 3.5 66.0 1.0 OD2 A:ASP117 3.5 60.6 1.0 C A:GLY118 3.6 60.3 1.0 N A:GLY118 3.7 60.4 1.0 ND2 A:ASN168 3.7 60.9 1.0 CG A:ASN168 3.8 64.7 1.0 CZ A:TYR69 3.8 53.1 1.0 C A:THR94 3.9 57.8 1.0 C A:GLU92 4.1 58.8 1.0 CE1 A:TYR69 4.1 48.6 1.0 CA A:GLY118 4.2 61.9 1.0 N A:THR94 4.2 57.1 1.0 CG A:GLU92 4.4 54.6 1.0 C A:LEU93 4.4 58.9 1.0 C A:ASP117 4.5 62.5 1.0 CA A:LEU93 4.5 58.9 1.0 N A:ALA119 4.5 53.6 1.0 N A:GLY96 4.6 49.4 1.0 N A:LEU93 4.6 58.7 1.0 CB A:ASP117 4.7 63.6 1.0 CA A:ASP117 4.7 62.6 1.0 CA A:THR94 4.8 56.6 1.0 N A:SER95 4.8 53.2 1.0 CA A:SER95 4.8 52.2 1.0 C A:SER95 4.9 49.7 1.0 CA A:ALA119 4.9 45.5 1.0 CB A:GLU92 5.0 54.9 1.0 O A:LEU93 5.0 65.3 1.0

Potassium binding site 2 out of 4 in the Imine Reductase From Ensifer Adhaerens in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Imine Reductase From Ensifer Adhaerens in Complex with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ B:K302 b:53.0 occ:1.00 O B:THR94 2.5 35.9 1.0 OH B:TYR69 2.7 39.3 1.0 O B:GLY118 2.8 41.5 1.0 OD1 B:ASN168 3.0 49.4 1.0 OD1 B:ASP117 3.1 54.3 1.0 O B:GLU92 3.3 49.6 1.0 CG B:ASP117 3.6 43.3 1.0 ND2 B:ASN168 3.6 53.8 1.0 OD2 B:ASP117 3.6 39.0 1.0 C B:GLY118 3.7 41.1 1.0 CG B:ASN168 3.7 49.2 1.0 C B:THR94 3.7 42.7 1.0 CZ B:TYR69 3.8 38.9 1.0 N B:GLY118 3.9 40.9 1.0 CE1 B:TYR69 4.0 38.8 1.0 C B:GLU92 4.2 45.9 1.0 N B:THR94 4.2 45.9 1.0 N B:GLY96 4.4 47.6 1.0 CA B:GLY118 4.4 41.8 1.0 C B:LEU93 4.4 43.5 1.0 CG B:GLU92 4.4 45.5 1.0 N B:ALA119 4.6 43.2 1.0 CA B:LEU93 4.6 43.0 1.0 N B:SER95 4.6 41.5 1.0 CA B:SER95 4.6 38.2 1.0 C B:ASP117 4.6 42.1 1.0 CA B:THR94 4.7 45.5 1.0 N B:LEU93 4.7 45.3 1.0 C B:SER95 4.7 39.3 1.0 CB B:ASP117 4.8 42.4 1.0 CA B:ASP117 4.9 41.2 1.0 CA B:ALA119 5.0 43.1 1.0

Potassium binding site 3 out of 4 in the Imine Reductase From Ensifer Adhaerens in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Imine Reductase From Ensifer Adhaerens in Complex with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ C:K302 b:46.7 occ:1.00 O C:THR94 2.6 44.8 1.0 OH C:TYR69 2.7 44.8 1.0 OD1 C:ASN168 2.8 46.5 1.0 O C:GLY118 2.9 41.6 1.0 OD1 C:ASP117 3.0 58.3 1.0 O C:GLU92 3.3 46.4 1.0 ND2 C:ASN168 3.5 51.1 1.0 CG C:ASP117 3.5 50.7 1.0 CG C:ASN168 3.6 49.4 1.0 OD2 C:ASP117 3.6 46.2 1.0 C C:GLY118 3.8 39.4 1.0 CZ C:TYR69 3.8 44.1 1.0 C C:THR94 3.8 46.1 1.0 N C:GLY118 3.9 39.5 1.0 CE1 C:TYR69 4.0 43.7 1.0 C C:GLU92 4.3 42.5 1.0 N C:GLY96 4.3 40.1 1.0 N C:THR94 4.4 45.5 1.0 CA C:GLY118 4.4 43.0 1.0 CG C:GLU92 4.4 46.1 1.0 C C:LEU93 4.5 46.6 1.0 CA C:SER95 4.6 44.6 1.0 C C:ASP117 4.6 40.2 1.0 N C:SER95 4.6 42.2 1.0 N C:ALA119 4.7 39.1 1.0 CA C:LEU93 4.7 44.5 1.0 C C:SER95 4.7 43.9 1.0 CA C:THR94 4.8 45.6 1.0 CB C:ASP117 4.8 49.2 1.0 N C:LEU93 4.8 41.3 1.0 CA C:ASP117 4.9 45.0 1.0

Potassium binding site 4 out of 4 in the Imine Reductase From Ensifer Adhaerens in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Imine Reductase From Ensifer Adhaerens in Complex with Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ D:K302 b:50.9 occ:1.00 O D:THR94 2.6 45.3 1.0 O D:GLY118 2.8 51.4 1.0 OH D:TYR69 2.8 44.8 1.0 OD1 D:ASN168 2.9 52.8 1.0 OD1 D:ASP117 3.0 67.7 1.0 O D:GLU92 3.3 48.3 1.0 CG D:ASP117 3.6 60.0 1.0 C D:GLY118 3.6 54.0 1.0 ND2 D:ASN168 3.6 57.6 1.0 OD2 D:ASP117 3.6 55.8 1.0 CG D:ASN168 3.7 54.5 1.0 N D:GLY118 3.8 53.3 1.0 C D:THR94 3.8 49.9 1.0 CZ D:TYR69 3.9 41.7 1.0 CE1 D:TYR69 4.1 40.6 1.0 C D:GLU92 4.2 51.9 1.0 CA D:GLY118 4.3 56.9 1.0 N D:THR94 4.3 52.9 1.0 N D:GLY96 4.4 53.5 1.0 CG D:GLU92 4.4 52.9 1.0 C D:LEU93 4.5 51.9 1.0 N D:ALA119 4.5 51.1 1.0 C D:ASP117 4.5 54.3 1.0 CA D:LEU93 4.6 48.3 1.0 CA D:SER95 4.7 48.8 1.0 N D:SER95 4.7 47.8 1.0 N D:LEU93 4.8 49.1 1.0 CA D:THR94 4.8 52.5 1.0 C D:SER95 4.8 51.5 1.0 CB D:ASP117 4.8 57.1 1.0 CA D:ASP117 4.8 57.0 1.0 CA D:ALA119 4.9 49.7 1.0

A.K.Gilio, T.W.Thorpe, A.Heyam, M.R.Petchey, B.Pogranyi, S.P.France, R.M.Howard, M.J.Karmilowicz, R.Lewis, N.Turner, G.Grogan. A Reductive Aminase Switches to Imine Reductase Mode For A Bulky Amine Substrate Acs Catalysis 2023.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.2C06066