Sodium in PDB 5l9f: S. Enterica Hisa Mutant - D10G, G11D, DUP13-15, G44E, G102A

All present enzymatic activity of S. Enterica Hisa Mutant - D10G, G11D, DUP13-15, G44E, G102A:
5.3.1.16;

The structure of S. Enterica Hisa Mutant - D10G, G11D, DUP13-15, G44E, G102A, PDB code: 5l9f was solved by X.Guo, A.Soderholm, M.Selmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.48 / 2.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.215, 91.088, 117.865, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 28.9

The binding sites of Sodium atom in the S. Enterica Hisa Mutant - D10G, G11D, DUP13-15, G44E, G102A (pdb code 5l9f). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the S. Enterica Hisa Mutant - D10G, G11D, DUP13-15, G44E, G102A, PDB code: 5l9f:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the S. Enterica Hisa Mutant - D10G, G11D, DUP13-15, G44E, G102A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of S. Enterica Hisa Mutant - D10G, G11D, DUP13-15, G44E, G102A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na301 b:19.7 occ:1.00 NE2 A:GLN243 2.7 44.3 1.0 O A:HOH407 2.8 12.6 1.0 N A:ILE2 3.3 16.3 1.0 CD A:GLN243 3.6 45.3 1.0 CG1 A:ILE239 3.8 17.5 1.0 CA A:MET1 3.8 19.6 1.0 CG A:GLN243 3.9 29.8 1.0 CB A:ILE2 4.0 16.2 1.0 C A:MET1 4.1 19.1 1.0 CG2 A:ILE239 4.1 16.7 1.0 CA A:ILE2 4.2 15.9 1.0 CD1 A:TRP242 4.2 30.3 1.0 CG1 A:ILE2 4.2 17.9 1.0 CD1 A:ILE239 4.3 16.3 1.0 CG A:MET1 4.3 26.6 1.0 CB A:ILE239 4.4 19.1 1.0 CB A:MET1 4.4 23.8 1.0 O A:ILE2 4.5 15.5 1.0 OE1 A:GLU44 4.5 41.3 1.0 OE1 A:GLN243 4.7 41.9 1.0 NE1 A:TRP242 4.7 27.2 1.0 CA A:ILE239 4.8 23.1 1.0 N A:MET1 4.8 18.8 1.0 C A:ILE2 4.8 17.8 1.0

Sodium binding site 2 out of 2 in the S. Enterica Hisa Mutant - D10G, G11D, DUP13-15, G44E, G102A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of S. Enterica Hisa Mutant - D10G, G11D, DUP13-15, G44E, G102A within 5.0Å range: probe atom residue distance (Å) B Occ B:Na301 b:21.6 occ:1.00 NE2 B:GLN243 2.7 39.0 1.0 O B:HOH413 2.8 18.9 1.0 N B:ILE2 3.4 22.0 1.0 CG1 B:ILE239 3.6 15.4 1.0 CD B:GLN243 3.6 41.9 1.0 CG B:GLN243 3.7 32.7 1.0 CG2 B:ILE239 3.8 14.5 1.0 CA B:MET1 3.9 24.2 1.0 CD1 B:ILE239 4.1 14.7 1.0 CB B:ILE2 4.1 20.4 1.0 CD1 B:TRP242 4.1 30.9 1.0 CG1 B:ILE2 4.2 17.8 1.0 C B:MET1 4.2 23.4 1.0 CB B:ILE239 4.2 17.3 1.0 OE1 B:GLU44 4.3 47.1 1.0 CA B:ILE2 4.3 17.5 1.0 CG B:MET1 4.5 28.4 1.0 O B:ILE2 4.6 17.2 1.0 CA B:ILE239 4.6 22.8 1.0 CB B:MET1 4.6 29.1 1.0 NE1 B:TRP242 4.7 27.6 1.0 OE1 B:GLN243 4.7 46.0 1.0 N B:MET1 4.9 29.3 1.0 C B:ILE2 5.0 20.6 1.0

M.S.Newton, X.Guo, A.Soderholm, J.Nasvall, P.Lundstrom, D.I.Andersson, M.Selmer, W.M.Patrick. Structural and Functional Innovations in the Real-Time Evolution of New ( Beta Alpha )8 Barrel Enzymes. Proc. Natl. Acad. Sci. V. 114 4727 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28416687
DOI: 10.1073/PNAS.1618552114