Potassium in PDB 3w7a: Crystal Structure of Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88

The structure of Crystal Structure of Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88, PDB code: 3w7a was solved by J.Yu, D.Ogata, T.Ooi, M.Yao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	191.982, 56.618, 105.518, 90.00, 115.71, 90.00
R / Rfree (%)	19.9 / 23.9

The structure of Crystal Structure of Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88 also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Potassium atom in the Crystal Structure of Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88 (pdb code 3w7a). 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 Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88, PDB code: 3w7a:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Crystal Structure of Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88


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 Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88 within 5.0Å range: probe atom residue distance (Å) B Occ A:K305 b:43.7 occ:1.00 O A:HOH464 2.5 35.2 1.0 OE2 A:GLU28 2.6 26.6 1.0 OE1 A:GLU24 2.8 28.4 1.0 CD A:GLU28 3.7 23.9 1.0 CD A:GLU24 4.0 28.4 1.0 CG A:GLU28 4.3 20.6 1.0 OE1 A:GLU28 4.5 25.7 1.0 OE2 A:GLU24 4.7 31.7 1.0 NZ A:LYS31 4.9 22.9 1.0

Potassium binding site 2 out of 4 in the Crystal Structure of Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88


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 Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88 within 5.0Å range: probe atom residue distance (Å) B Occ B:K302 b:56.6 occ:1.00 OD1 B:ASP43 2.5 26.9 1.0 O B:ASN10 2.8 25.1 1.0 N B:ASN10 3.0 20.0 1.0 OG1 B:THR8 3.0 21.5 1.0 O B:THR8 3.2 19.3 1.0 CG B:ASP43 3.4 26.2 1.0 C B:THR8 3.4 19.8 1.0 CB B:THR8 3.6 21.9 1.0 C B:ASN10 3.6 25.4 1.0 N B:ALA9 3.7 18.0 1.0 CA B:ALA9 3.8 19.0 1.0 CA B:ASN10 3.9 23.7 1.0 C B:ALA9 3.9 20.2 1.0 OD2 B:ASP43 3.9 25.5 1.0 CD2 B:PHE45 4.0 22.4 1.0 CA B:THR8 4.1 20.2 1.0 CA B:ASP43 4.3 22.8 1.0 CB B:ASP43 4.3 24.2 1.0 N B:PHE45 4.4 22.2 1.0 N B:LEU44 4.4 21.3 1.0 CB B:PHE45 4.5 23.3 1.0 CB B:ASN10 4.6 23.4 1.0 C B:ASP43 4.7 22.1 1.0 CG B:PHE45 4.7 22.8 1.0 N B:PRO11 4.8 27.6 1.0 CE2 B:PHE45 5.0 22.0 1.0

Potassium binding site 3 out of 4 in the Crystal Structure of Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88


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 Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88 within 5.0Å range: probe atom residue distance (Å) B Occ C:K305 b:47.6 occ:1.00 OD1 C:ASP43 2.6 21.7 1.0 OG1 C:THR8 2.8 20.8 1.0 O C:ASN10 2.9 23.9 1.0 O C:HOH431 3.1 38.4 1.0 O C:THR8 3.1 17.7 1.0 N C:ASN10 3.2 19.0 1.0 CG C:ASP43 3.3 22.0 1.0 C C:THR8 3.4 17.3 1.0 CB C:THR8 3.6 18.6 1.0 N C:ALA9 3.7 17.3 1.0 C C:ASN10 3.7 23.4 1.0 OD2 C:ASP43 3.9 23.9 1.0 CA C:ALA9 4.0 18.3 1.0 CA C:ASN10 4.0 21.0 1.0 C C:ALA9 4.1 18.6 1.0 CB C:ASP43 4.1 20.4 1.0 CA C:ASP43 4.1 19.1 1.0 CA C:THR8 4.1 17.4 1.0 N C:LEU44 4.3 18.7 1.0 CD2 C:PHE45 4.4 18.8 1.0 C C:ASP43 4.5 19.6 1.0 CB C:ASN10 4.5 20.1 1.0 N C:PHE45 4.6 20.1 1.0 CE C:MET20 4.8 23.1 1.0 CB C:PHE45 4.8 20.0 1.0 SD C:MET20 4.9 23.2 1.0 N C:PRO11 4.9 24.1 1.0 CG2 C:THR8 4.9 17.8 1.0

Potassium binding site 4 out of 4 in the Crystal Structure of Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88


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 Azoreductase Azrc Fin Complex with Sulfone- Modified Azo Dye Acid Red 88 within 5.0Å range: probe atom residue distance (Å) B Occ C:K307 b:43.5 occ:1.00 OE2 C:GLU28 2.6 19.9 1.0 OE1 C:GLU24 2.6 31.2 1.0 OE2 C:GLU24 2.9 32.2 1.0 CD C:GLU24 3.2 29.3 1.0 CD C:GLU28 3.5 20.6 1.0 CG C:GLU28 3.8 19.2 1.0 OE1 C:GLU28 4.5 22.6 1.0 CG C:GLU24 4.7 26.0 1.0 NZ C:LYS31 4.7 20.2 1.0 O C:HOH439 4.9 34.1 1.0

J.Yu, D.Ogata, Z.Gai, S.Taguchi, I.Tanaka, T.Ooi, M.Yao. Structures of Azra and of Azrc Complexed with Substrate or Inhibitor: Insight Into Substrate Specificity and Catalytic Mechanism Acta Crystallogr.,Sect.D V. 70 553 2014.
ISSN: ISSN 0907-4449
DOI: 10.1107/S1399004713030988