Potassium in PDB 1bw9: Phenylalanine Dehydrogenase Structure in Ternary Complex with Nad+ and Phenylpyruvate

All present enzymatic activity of Phenylalanine Dehydrogenase Structure in Ternary Complex with Nad+ and Phenylpyruvate:
1.4.1.20;

The structure of Phenylalanine Dehydrogenase Structure in Ternary Complex with Nad+ and Phenylpyruvate, PDB code: 1bw9 was solved by J.L.Vanhooke, J.B.Thoden, N.M.W.Brunhuber, J.L.Blanchard, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.300, 110.200, 113.400, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Phenylalanine Dehydrogenase Structure in Ternary Complex with Nad+ and Phenylpyruvate also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Potassium atom in the Phenylalanine Dehydrogenase Structure in Ternary Complex with Nad+ and Phenylpyruvate (pdb code 1bw9). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Phenylalanine Dehydrogenase Structure in Ternary Complex with Nad+ and Phenylpyruvate, PDB code: 1bw9:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Phenylalanine Dehydrogenase Structure in Ternary Complex with Nad+ and Phenylpyruvate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Phenylalanine Dehydrogenase Structure in Ternary Complex with Nad+ and Phenylpyruvate within 5.0Å range: probe atom residue distance (Å) B Occ B:K850 b:27.4 occ:1.00 O A:THR121 2.7 11.3 1.0 O A:HOH656 2.7 28.3 1.0 O B:HOH884 2.8 27.7 1.0 O A:ASP118 2.9 10.2 1.0 O A:HOH728 3.1 33.1 1.0 O A:HOH771 3.5 41.0 1.0 C A:ASP118 3.7 5.7 1.0 O A:HOH395 3.7 19.6 1.0 O A:HOH761 3.9 45.8 1.0 C A:THR121 3.9 16.2 1.0 CB A:PRO117 4.0 5.7 1.0 N A:ASP118 4.0 7.0 1.0 CA A:ASP118 4.2 8.0 1.0 C5N A:NAD360 4.3 16.0 1.0 O A:HOH689 4.4 38.3 1.0 N A:THR121 4.5 6.7 1.0 O1 B:EDO874 4.5 29.0 1.0 O1N A:NAD360 4.6 23.6 1.0 C A:PRO117 4.6 10.3 1.0 N A:VAL119 4.7 8.0 1.0 CA A:ASN122 4.7 12.9 1.0 N A:ASN122 4.8 12.1 1.0 CA A:THR121 4.8 8.8 1.0 CA A:PRO117 4.8 5.8 1.0 N A:ASN120 4.9 9.7 1.0 CA A:VAL119 4.9 8.0 1.0 C4N A:NAD360 5.0 35.3 1.0

Potassium binding site 2 out of 2 in the Phenylalanine Dehydrogenase Structure in Ternary Complex with Nad+ and Phenylpyruvate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Phenylalanine Dehydrogenase Structure in Ternary Complex with Nad+ and Phenylpyruvate within 5.0Å range: probe atom residue distance (Å) B Occ B:K853 b:14.6 occ:1.00 O B:HOH993 2.6 15.4 1.0 O B:SER572 2.6 9.3 1.0 O B:ASP574 2.7 10.8 1.0 O B:HOH1140 2.9 24.0 1.0 O B:LEU570 3.0 5.5 1.0 CD2 B:LEU576 3.6 5.0 1.0 C B:SER572 3.7 5.5 1.0 CG B:LEU576 3.7 11.0 1.0 C B:ASP574 3.8 11.1 1.0 N B:SER572 3.8 11.2 1.0 C B:LEU570 4.3 6.0 1.0 OG B:SER572 4.3 20.6 1.0 CA B:SER572 4.4 7.8 1.0 N B:ASP574 4.4 7.3 1.0 CD1 B:LEU576 4.5 6.7 1.0 C B:LEU573 4.5 8.1 1.0 O B:HOH1284 4.6 32.5 1.0 CA B:ASP574 4.6 6.3 1.0 N B:LEU573 4.7 5.8 1.0 C B:GLY575 4.7 13.1 1.0 C B:GLY571 4.7 8.2 1.0 N B:LEU576 4.8 10.9 1.0 N B:GLY575 4.8 12.9 1.0 CA B:GLY575 4.8 11.5 1.0 O B:LEU573 4.8 8.6 1.0 CA B:GLY571 4.9 6.7 1.0 CA B:LEU573 4.9 8.8 1.0 CB B:ASP574 5.0 10.3 1.0 CB B:LEU576 5.0 7.3 1.0 CB B:SER572 5.0 12.3 1.0

J.L.Vanhooke, J.B.Thoden, N.M.Brunhuber, J.S.Blanchard, H.M.Holden. Phenylalanine Dehydrogenase From Rhodococcus Sp. M4: High-Resolution X-Ray Analyses of Inhibitory Ternary Complexes Reveal Key Features in the Oxidative Deamination Mechanism. Biochemistry V. 38 2326 1999.
ISSN: ISSN 0006-2960
PubMed: 10029526
DOI: 10.1021/BI982244Q