Sodium in PDB 6fhf: Highly Active Enzymes By Automated Modular Backbone Assembly and Sequence Design

The structure of Highly Active Enzymes By Automated Modular Backbone Assembly and Sequence Design, PDB code: 6fhf was solved by G.Lapidot, O.Khersonsky, R.Lipsh, O.Dym, S.Albeck, S.Rogotner, J.S.Fleishman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.94 / 1.85
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	128.969, 128.969, 51.710, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 22.6

The binding sites of Sodium atom in the Highly Active Enzymes By Automated Modular Backbone Assembly and Sequence Design (pdb code 6fhf). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Highly Active Enzymes By Automated Modular Backbone Assembly and Sequence Design, PDB code: 6fhf:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Highly Active Enzymes By Automated Modular Backbone Assembly and Sequence Design


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Highly Active Enzymes By Automated Modular Backbone Assembly and Sequence Design within 5.0Å range: probe atom residue distance (Å) B Occ A:Na401 b:67.0 occ:1.00 NZ A:LYS310 3.9 42.3 1.0 CE A:LYS310 3.9 34.6 1.0

Sodium binding site 2 out of 2 in the Highly Active Enzymes By Automated Modular Backbone Assembly and Sequence Design


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Highly Active Enzymes By Automated Modular Backbone Assembly and Sequence Design within 5.0Å range: probe atom residue distance (Å) B Occ A:Na402 b:50.0 occ:1.00 OE2 A:GLU58 2.8 35.2 1.0 ND2 A:ASN59 3.4 27.4 1.0 CD A:GLU58 3.5 33.8 1.0 CG A:GLU58 3.5 26.0 1.0 OD1 A:ASN59 3.9 31.0 1.0 CB A:TRP327 4.1 32.9 1.0 CG A:ASN59 4.1 30.4 1.0 NE1 A:TRP319 4.2 27.7 1.0 OE1 A:GLU58 4.5 33.7 1.0 O A:GLU58 4.7 22.7 1.0 CG A:TRP327 4.9 33.5 1.0 O A:HOH539 4.9 31.4 1.0 CB A:GLU58 5.0 24.6 1.0 CD1 A:TRP319 5.0 28.4 1.0

G.Lapidoth, O.Khersonsky, R.Lipsh, O.Dym, S.Albeck, S.Rogotner, S.J.Fleishman. Highly Active Enzymes By Automated Combinatorial Backbone Assembly and Sequence Design. Nat Commun V. 9 2780 2018.
ISSN: ESSN 2041-1723
PubMed: 30018322
DOI: 10.1038/S41467-018-05205-5