Sodium in PDB 5mlr: Plantago Major Multifunctional Oxidoreductase V150M Mutant in Complex with Citral and Nadp+

All present enzymatic activity of Plantago Major Multifunctional Oxidoreductase V150M Mutant in Complex with Citral and Nadp+:
1.1.1.145;

The structure of Plantago Major Multifunctional Oxidoreductase V150M Mutant in Complex with Citral and Nadp+, PDB code: 5mlr was solved by R.Fellows, C.M.Russo, S.G.Lee, J.M.Jez, J.D.Chisholm, C.Zubieta, M.Nanao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.20 / 1.46
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.510, 79.510, 137.613, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 16.9

The structure of Plantago Major Multifunctional Oxidoreductase V150M Mutant in Complex with Citral and Nadp+ also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Plantago Major Multifunctional Oxidoreductase V150M Mutant in Complex with Citral and Nadp+ (pdb code 5mlr). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Plantago Major Multifunctional Oxidoreductase V150M Mutant in Complex with Citral and Nadp+, PDB code: 5mlr:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Plantago Major Multifunctional Oxidoreductase V150M Mutant in Complex with Citral and Nadp+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Plantago Major Multifunctional Oxidoreductase V150M Mutant in Complex with Citral and Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Na402 b:26.8 occ:1.00 O A:HOH772 2.6 34.3 1.0 OD2 A:ASP252 2.7 14.6 1.0 O A:HOH886 2.9 29.1 1.0 NE A:ARG369 3.0 15.0 1.0 O A:HOH535 3.3 31.0 1.0 CG A:ASP252 3.3 14.8 1.0 OD1 A:ASP252 3.4 15.3 1.0 CD A:ARG369 3.6 14.8 1.0 CZ A:ARG369 4.0 17.5 1.0 NE1 A:TRP378 4.1 14.0 1.0 CG A:ARG369 4.2 14.4 1.0 OG A:SER377 4.2 25.1 0.3 NH2 A:ARG369 4.2 18.8 1.0 CZ2 A:TRP378 4.4 15.4 1.0 OD2 A:ASP254 4.4 19.3 1.0 CB A:ASP254 4.5 15.5 1.0 CE2 A:TRP378 4.5 15.7 1.0 OG A:SER374 4.5 15.6 1.0 O A:HOH713 4.6 23.6 1.0 CB A:ASP252 4.7 13.2 1.0 CB A:SER374 4.7 16.1 1.0 CG A:ASP254 4.8 17.9 1.0 O A:HOH563 4.8 26.3 1.0 CA A:SER374 4.9 13.7 1.0 OG A:SER377 4.9 19.0 0.7

Sodium binding site 2 out of 2 in the Plantago Major Multifunctional Oxidoreductase V150M Mutant in Complex with Citral and Nadp+


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Plantago Major Multifunctional Oxidoreductase V150M Mutant in Complex with Citral and Nadp+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:20.7 occ:1.00 ND1 A:HIS286 2.9 27.6 1.0 O A:HOH545 3.2 23.0 1.0 N A:LYS283 3.3 14.4 1.0 CA A:PHE282 3.5 13.4 1.0 CB A:PHE282 3.5 14.1 1.0 CB A:HIS286 3.7 18.9 1.0 CG A:HIS286 3.7 24.9 1.0 C A:PHE282 3.9 14.9 1.0 CE1 A:HIS286 4.0 28.8 1.0 O A:LYS283 4.3 15.9 1.0 CE1 A:PHE287 4.3 17.4 1.0 CA A:LYS283 4.4 14.9 1.0 CD1 A:PHE287 4.6 15.2 1.0 CB A:LYS283 4.6 16.8 1.0 O A:VAL281 4.6 14.5 1.0 O A:HOH899 4.7 31.2 1.0 N A:PHE282 4.8 13.1 1.0 C A:LYS283 4.8 15.8 1.0 CG A:PHE282 4.9 14.2 1.0 CD2 A:HIS286 5.0 29.6 1.0

R.Fellows, C.M.Russo, C.S.Silva, S.G.Lee, J.M.Jez, J.D.Chisholm, C.Zubieta, M.H.Nanao. A Multisubstrate Reductase From Plantago Major: Structure-Function in the Short Chain Reductase Superfamily. Sci Rep V. 8 14796 2018.
ISSN: ESSN 2045-2322
PubMed: 30287897
DOI: 10.1038/S41598-018-32967-1