Sodium in PDB 3tjl: Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis

All present enzymatic activity of Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis:
1.6.99.1;

The structure of Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis, PDB code: 3tjl 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)	44.00 / 1.50
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	127.164, 127.164, 122.457, 90.00, 90.00, 120.00
R / Rfree (%)	14.3 / 16.8

The binding sites of Sodium atom in the Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis (pdb code 3tjl). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis, PDB code: 3tjl:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis within 5.0Å range: probe atom residue distance (Å) B Occ A:Na409 b:22.5 occ:1.00 OE1 A:GLN26 2.6 20.1 1.0 O A:HOH614 2.7 23.7 1.0 O A:HOH737 2.8 35.0 1.0 CD A:GLN26 3.8 20.5 1.0 O A:HOH630 3.9 26.4 1.0 O A:PHE15 4.2 21.4 1.0 CB A:GLN26 4.4 18.6 1.0 CB A:SER17 4.4 19.8 1.0 CG A:GLN26 4.5 19.3 1.0 N A:SER17 4.5 18.6 1.0 O A:GLN26 4.6 20.2 1.0 NE2 A:GLN26 4.7 21.1 1.0 CA A:GLN26 4.7 16.7 1.0 O A:HOH748 4.8 32.9 1.0 CA A:SER17 4.9 18.8 1.0

Sodium binding site 2 out of 4 in the Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis within 5.0Å range: probe atom residue distance (Å) B Occ A:Na410 b:32.9 occ:1.00 O A:HOH707 2.3 40.4 1.0 O A:ASP335 2.7 20.0 1.0 O A:HOH644 2.8 24.1 1.0 OD2 A:ASP338 2.9 19.0 1.0 OG1 A:THR341 3.4 18.5 1.0 CG A:ASP338 3.5 19.6 1.0 C A:ASP335 3.6 19.1 1.0 O A:HOH865 3.7 38.6 1.0 CA A:ASP335 3.9 18.0 1.0 OD1 A:ASP338 3.9 19.1 1.0 OG A:SER309 4.1 20.7 1.0 CB A:THR341 4.2 16.6 1.0 CG2 A:THR341 4.4 17.1 1.0 O A:HOH623 4.4 27.4 1.0 CB A:ASP338 4.5 18.9 1.0 CB A:ASP335 4.5 18.9 1.0 O A:GLU334 4.5 22.5 1.0 N A:ILE336 4.8 18.4 1.0 CD A:LYS318 4.9 23.5 1.0 OD1 A:ASP335 4.9 23.0 1.0 O A:HOH444 4.9 44.0 1.0 CB A:SER309 4.9 19.4 1.0 N A:ASP338 5.0 20.1 1.0

Sodium binding site 3 out of 4 in the Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis within 5.0Å range: probe atom residue distance (Å) B Occ A:Na411 b:51.9 occ:1.00 O A:HOH452 2.1 59.5 1.0 O A:HOH457 2.3 44.3 1.0 O A:HOH660 2.8 25.1 1.0 O A:HOH503 2.8 63.0 1.0 O A:HOH418 3.2 45.4 1.0 NA A:NA412 3.7 37.7 1.0 OE1 A:GLU139 3.9 28.6 1.0 O A:HOH683 4.0 28.3 1.0 OE2 A:GLU139 4.1 30.5 1.0 O A:HOH528 4.1 43.2 1.0 O A:HOH504 4.3 47.9 1.0 CD A:GLU139 4.4 28.3 1.0 CG A:GLN248 4.5 17.5 1.0 OE1 A:GLN248 4.6 19.5 1.0 O A:HOH505 4.9 67.8 1.0

Sodium binding site 4 out of 4 in the Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of A Novel Oye From the Xylose-Fermenting Fungus P. Stipitis within 5.0Å range: probe atom residue distance (Å) B Occ A:Na412 b:37.7 occ:1.00 O A:HOH505 2.2 67.8 1.0 O A:HOH503 2.7 63.0 1.0 O A:HOH660 2.8 25.1 1.0 O A:HOH838 3.0 35.8 1.0 O A:HOH720 3.2 45.0 1.0 O A:HOH418 3.2 45.4 1.0 NA A:NA411 3.7 51.9 1.0 O1B A:MLA413 3.8 30.9 0.8 O A:HOH721 3.9 36.7 1.0 OE1 A:GLU139 4.1 28.6 1.0 O A:VAL118 4.3 19.1 1.0 O1A A:MLA413 4.4 38.8 0.8 O A:HOH749 4.4 27.0 1.0 C1 A:MLA413 4.5 53.3 0.8 O A:HOH562 4.5 25.8 1.0 OE1 A:GLN248 4.7 19.5 1.0

Y.A.Pompeu, B.Sullivan, A.Z.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