Sodium in PDB 5ab3: S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, G102A

All present enzymatic activity of S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, G102A:
5.3.1.16;

The structure of S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, G102A, PDB code: 5ab3 was solved by X.Guo, A.Soderholm, M.Newton, J.Nasvall, D.Andersson, W.Patrick, M.Selmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.11 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.196, 61.196, 391.887, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 20.6

The binding sites of Sodium atom in the S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, G102A (pdb code 5ab3). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, G102A, PDB code: 5ab3:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, 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 D7N, D10G, DUP13-15, Q24L, G102A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1246 b:42.9 occ:1.00 O A:HOH2004 3.0 44.5 1.0 N A:ILE2 3.3 36.8 1.0 NE2 A:GLN243 3.3 52.9 1.0 CA A:MET1 3.5 33.6 1.0 CG1 A:ILE239 3.7 39.6 1.0 CB A:MET1 3.9 43.1 1.0 C A:MET1 3.9 37.9 1.0 CG2 A:ILE239 3.9 51.2 1.0 CD1 A:TRP242 4.0 41.4 1.0 CG A:GLN243 4.2 62.5 1.0 CB A:ILE239 4.3 45.3 1.0 CD A:GLN243 4.3 63.7 1.0 CD1 A:ILE239 4.3 44.4 1.0 CB A:ILE2 4.3 38.7 1.0 CG1 A:ILE2 4.3 35.3 1.0 CA A:ILE2 4.4 32.2 1.0 CA A:ILE239 4.5 42.8 1.0 N A:MET1 4.6 39.7 1.0 NE1 A:TRP242 4.7 39.4 1.0 O A:ILE2 4.8 34.9 1.0 OE1 B:GLN243 4.9 72.0 1.0 CG A:TRP242 5.0 43.0 1.0

Sodium binding site 2 out of 4 in the S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, 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 D7N, D10G, DUP13-15, Q24L, G102A within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1246 b:32.1 occ:1.00 O B:HOH2001 3.0 31.7 1.0 NE2 B:GLN243 3.3 56.9 1.0 N B:ILE2 3.3 31.6 1.0 CA B:MET1 3.6 34.5 1.0 CG1 B:ILE239 3.7 30.6 1.0 CD1 B:TRP242 3.9 35.9 1.0 CG2 B:ILE239 3.9 38.0 1.0 C B:MET1 3.9 30.6 1.0 CG B:MET1 4.1 52.0 1.0 CG B:GLN243 4.1 67.1 1.0 CB B:MET1 4.2 42.2 1.0 CD B:GLN243 4.2 64.5 1.0 CG1 B:ILE2 4.2 25.3 1.0 CB B:ILE2 4.2 31.7 1.0 CB B:ILE239 4.3 32.9 1.0 CD1 B:ILE239 4.3 32.2 1.0 CA B:ILE2 4.3 30.7 1.0 CA B:ILE239 4.5 34.3 1.0 NE1 B:TRP242 4.6 32.6 1.0 N B:MET1 4.7 32.1 1.0 O B:ILE2 4.7 31.4 1.0 CG B:TRP242 4.9 34.6 1.0

Sodium binding site 3 out of 4 in the S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, G102A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, G102A within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1247 b:37.5 occ:1.00 CG B:GLN155 2.7 55.7 1.0 O B:HOH2111 2.8 33.9 1.0 CB B:GLN155 3.6 37.0 1.0 CD B:GLN155 3.8 64.0 1.0 NE2 B:GLN155 4.3 60.7 1.0 OG B:SER152 4.4 40.6 1.0 OE1 B:GLN155 4.7 78.7 1.0 CA B:GLN155 4.7 29.4 1.0

Sodium binding site 4 out of 4 in the S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, G102A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of S.Enterica Hisa Mutant D7N, D10G, DUP13-15, Q24L, G102A within 5.0Å range: probe atom residue distance (Å) B Occ C:Na1246 b:31.2 occ:1.00 O C:HOH2161 2.9 36.9 1.0 O C:HOH2038 3.0 33.7 1.0 O C:HOH2005 3.2 35.2 1.0 N C:ILE2 3.2 37.9 1.0 CA C:MET1 3.5 32.4 1.0 CG1 C:ILE239 3.8 36.9 1.0 CG C:MET1 3.8 50.1 1.0 C C:MET1 3.9 36.0 1.0 CG2 C:ILE239 3.9 37.3 1.0 CD1 C:TRP242 3.9 35.6 1.0 NE2 C:GLN243 4.1 41.2 1.0 CB C:MET1 4.1 37.1 1.0 CG1 C:ILE2 4.2 38.6 1.0 CB C:ILE2 4.2 39.7 1.0 CB C:ILE239 4.3 42.1 1.0 CA C:ILE2 4.3 36.8 1.0 CD1 C:ILE239 4.3 36.2 1.0 CA C:ILE239 4.5 38.4 1.0 O C:HOH2002 4.6 45.3 1.0 N C:MET1 4.6 32.1 1.0 O C:HOH2160 4.6 47.6 1.0 NE1 C:TRP242 4.7 38.0 1.0 CG C:GLN243 4.7 41.3 1.0 O C:ILE2 4.8 37.4 1.0 CD C:GLN243 4.8 42.1 1.0 O C:HOH2004 4.8 38.6 0.5 CG C:TRP242 4.9 39.7 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