Sodium in PDB 4df2: P. Stipitis OYE2.6 Complexed with P-Chlorophenol

The structure of P. Stipitis OYE2.6 Complexed with P-Chlorophenol, PDB code: 4df2 was solved by Y.A.Pompeu, J.D.Stewart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.86 / 2.02
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	127.736, 127.736, 123.646, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 19.8

The structure of P. Stipitis OYE2.6 Complexed with P-Chlorophenol also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the P. Stipitis OYE2.6 Complexed with P-Chlorophenol (pdb code 4df2). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the P. Stipitis OYE2.6 Complexed with P-Chlorophenol, PDB code: 4df2:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the P. Stipitis OYE2.6 Complexed with P-Chlorophenol


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of P. Stipitis OYE2.6 Complexed with P-Chlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Na504 b:53.9 occ:1.00 O A:HOH823 2.3 36.0 1.0 O A:ASP335 2.5 30.0 1.0 O A:HOH706 3.3 33.5 1.0 OG1 A:THR341 3.4 27.1 1.0 C A:ASP335 3.4 30.2 1.0 O A:HOH826 3.5 48.0 1.0 OD2 A:ASP338 3.5 33.5 1.0 CA A:ASP335 3.6 28.0 1.0 CG2 A:THR341 4.0 26.4 1.0 CG A:ASP338 4.1 34.2 1.0 CB A:THR341 4.1 30.0 1.0 CD A:LYS318 4.1 35.2 1.0 CB A:ASP335 4.1 27.8 1.0 OG A:SER309 4.1 33.5 1.0 CE A:LYS318 4.2 31.9 1.0 OD1 A:ASP338 4.2 27.1 1.0 OD1 A:ASP335 4.4 30.2 1.0 CG A:ASP335 4.6 26.8 1.0 NZ A:LYS318 4.7 34.0 1.0 N A:ILE336 4.7 26.1 1.0 O A:GLU334 4.7 33.1 1.0 N A:ASP335 4.9 29.4 1.0 O A:HOH639 5.0 32.1 1.0

Sodium binding site 2 out of 2 in the P. Stipitis OYE2.6 Complexed with P-Chlorophenol


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of P. Stipitis OYE2.6 Complexed with P-Chlorophenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Na505 b:35.7 occ:1.00 O A:HOH696 2.3 29.1 1.0 O A:HOH787 2.4 27.3 1.0 OE1 A:GLN26 2.4 23.1 1.0 O A:HOH863 2.4 38.5 1.0 O A:HOH864 2.4 40.0 1.0 CD A:GLN26 3.6 23.8 1.0 O A:PHE15 4.2 34.5 1.0 CB A:GLN26 4.2 28.6 1.0 CG A:GLN26 4.3 24.1 1.0 O A:GLN26 4.4 25.4 1.0 CB A:SER17 4.5 25.3 1.0 N A:SER17 4.5 25.4 1.0 O A:HOH860 4.5 39.9 1.0 CA A:GLN26 4.6 23.7 1.0 NE2 A:GLN26 4.6 25.5 1.0 CA A:SER17 4.9 25.2 1.0 C A:GLN26 5.0 29.8 1.0

Y.A.Pompeu, B.Sullivan, A.Walton, J.D.Stewart. Structural and Catalytic Characterization of Pichia Stipitis Oye 2.6, A Useful Biocatalyst For Asymmetric Alkene Reductions Adv.Synth.Catal. 2012.
ISSN: ESSN 1615-4169
DOI: 10.1002/ADSC.201200213