Sodium in PDB 4us6: New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels

All present enzymatic activity of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels:
5.3.1.5;

The structure of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels, PDB code: 4us6 was solved by J.A.Gavira, M.Conejero-Muriel, J.J.Diaz-Mochon, L.Alvarez De Cienfuegos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	99.21 / 1.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.999, 93.677, 99.215, 90.00, 90.00, 90.00
R / Rfree (%)	10.648 / 13.237

The structure of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Calcium	(Ca)	2 atoms

The binding sites of Sodium atom in the New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels (pdb code 4us6). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels, PDB code: 4us6:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1393 b:30.9 occ:1.00 O A:HOH2122 2.5 29.9 1.0 OD1 A:ASP56 2.5 13.2 1.0 O A:ILE59 2.7 13.4 1.0 O A:HOH2105 2.7 28.3 1.0 O A:HOH2099 3.0 18.9 1.0 HB A:ILE59 3.0 14.6 1.0 HA A:ASP56 3.1 9.4 1.0 HG23 A:ILE59 3.3 16.1 1.0 HA A:PHE61 3.3 13.9 1.0 HB2 A:ASP55 3.5 8.5 1.0 C A:ILE59 3.7 12.1 1.0 CG A:ASP56 3.7 10.2 1.0 CB A:ILE59 3.8 13.1 1.0 O A:ASP55 3.8 9.5 1.0 CA A:ASP56 3.9 8.4 1.0 CG2 A:ILE59 3.9 16.6 1.0 O A:PRO60 3.9 14.1 1.0 C A:ASP55 4.0 8.4 1.0 HG22 A:ILE59 4.1 16.4 1.0 N A:ASP56 4.1 8.1 1.0 C A:PRO60 4.1 15.1 1.0 CA A:PHE61 4.2 13.6 1.0 N A:PHE61 4.2 13.7 1.0 O A:HOH2221 4.2 26.6 1.0 H A:ILE59 4.2 11.4 1.0 HH12 A:ARG68 4.3 19.4 1.0 CB A:ASP55 4.3 8.5 1.0 CA A:ILE59 4.3 11.9 1.0 CB A:ASP56 4.3 10.1 1.0 O A:HOH2107 4.4 23.8 1.0 CG A:ASP55 4.5 8.0 1.0 H A:GLY62 4.5 15.8 1.0 HB3 A:ASP56 4.6 9.9 1.0 OD2 A:ASP55 4.6 8.8 1.0 H A:PHE61 4.7 13.9 1.0 OD2 A:ASP56 4.7 14.2 1.0 HD11 A:ILE59 4.7 16.8 1.0 O A:HOH2109 4.7 28.7 1.0 N A:PRO60 4.7 14.4 1.0 H A:ASP56 4.7 8.5 1.0 HD13 A:ILE59 4.7 16.5 1.0 CA A:ASP55 4.8 7.5 1.0 HG21 A:ILE59 4.8 17.3 1.0 HD2 A:PHE61 4.8 14.3 1.0 N A:ILE59 4.8 10.6 1.0 HH11 A:ARG68 4.8 19.6 1.0 H A:SER63 4.9 17.3 1.0 HB2 A:PHE61 4.9 13.4 1.0 CA A:PRO60 4.9 16.1 1.0 NH1 A:ARG68 4.9 19.6 1.0 HZ2 A:LYS118 4.9 9.0 1.0 HZ3 A:LYS118 5.0 9.0 1.0

Sodium binding site 2 out of 2 in the New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1394 b:21.5 occ:1.00 O3 B:GOL1393 2.4 9.3 0.5 O1 B:GOL1393 2.5 10.2 0.5 HE2 B:TYR254 2.7 7.8 1.0 HO1 B:GOL1393 2.7 9.9 0.5 OH B:TYR254 2.7 8.8 1.0 O B:HOH2436 2.9 11.8 1.0 HO3 B:GOL1393 2.9 10.3 0.5 O2 B:GOL1393 3.0 12.8 0.5 HO2 B:GOL1393 3.2 13.9 0.5 H31 B:GOL1393 3.2 11.2 0.5 CE2 B:TYR254 3.3 7.1 1.0 H12 B:GOL1393 3.4 13.4 0.5 HH B:TYR254 3.4 11.2 0.0 C3 B:GOL1393 3.4 12.2 0.5 CZ B:TYR254 3.4 7.7 1.0 C1 B:GOL1393 3.4 11.1 0.5 H11 B:GOL1393 3.5 13.4 0.5 C2 B:GOL1393 3.6 13.8 0.5 H11 B:GOL1393 3.7 12.2 0.5 H2 B:GOL1393 3.8 13.8 0.5 O B:HOH2056 3.9 11.9 1.0 C3 B:GOL1393 3.9 12.2 0.5 O B:HOH2333 3.9 9.6 1.0 HE21 B:GLN256 4.0 11.5 1.0 HA B:GLN256 4.0 7.1 1.0 H32 B:GOL1393 4.3 11.7 0.5 HG2 B:GLN256 4.3 8.7 1.0 C2 B:GOL1393 4.3 12.4 0.5 H12 B:GOL1393 4.3 12.5 0.5 O B:HOH2438 4.4 15.5 1.0 HB3 B:GLN256 4.4 7.2 1.0 CD2 B:TYR254 4.6 7.3 1.0 O B:GLN256 4.6 7.3 1.0 O B:HOH2311 4.7 11.9 1.0 CE1 B:TYR254 4.8 8.7 1.0 NE2 B:GLN256 4.8 14.8 1.0 HO2 B:GOL1393 4.8 11.5 0.5 CA B:GLN256 4.8 7.0 1.0 HD22 B:LEU258 4.8 11.8 1.0 HD2 B:TYR254 4.9 7.3 1.0 CB B:GLN256 4.9 7.2 1.0 CG B:GLN256 5.0 8.3 1.0

M.Conejero-Muriel, J.A.Gavira, E.Pineda-Molina, A.Belsom, M.Bradley, M.Moral, J.D.D.Garcia-Lopez Duran, A.Luque Gonzalez, J.J.Diaz-Mochon, R.Contreras-Montoya, A.Martinez-Peragon, J.M.Cuerva, L.Alvarez De Cienfuegos. Influence of the Chirality of Short Peptide Supramolecular Hydrogels in Protein Crystallogenesis. Chem.Commun.(Camb.) V. 51 3862 2015.
ISSN: ISSN 1359-7345
PubMed: 25655841
DOI: 10.1039/C4CC09024A