Sodium in PDB 2fld: I-Msoi Re-Designed For Altered Dna Cleavage Specificity

The structure of I-Msoi Re-Designed For Altered Dna Cleavage Specificity, PDB code: 2fld was solved by J.Ashworth, C.M.Duarte, J.J.Havranek, D.Sussman, R.J.Monnat, B.L.Stoddard, D.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.50 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.961, 42.981, 71.545, 72.29, 72.30, 70.51
R / Rfree (%)	22.9 / 27.1

The structure of I-Msoi Re-Designed For Altered Dna Cleavage Specificity also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Sodium atom in the I-Msoi Re-Designed For Altered Dna Cleavage Specificity (pdb code 2fld). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the I-Msoi Re-Designed For Altered Dna Cleavage Specificity, PDB code: 2fld:

Sodium binding site 1 out of 1 in the I-Msoi Re-Designed For Altered Dna Cleavage Specificity


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of I-Msoi Re-Designed For Altered Dna Cleavage Specificity within 5.0Å range: probe atom residue distance (Å) B Occ C:Na603 b:31.0 occ:1.00 OP2 C:DG515 2.2 29.3 1.0 OD1 B:ASP222 2.3 26.4 1.0 OP2 D:DG565 2.4 30.0 1.0 OD1 A:ASP22 2.4 25.2 1.0 O3' D:DC564 2.7 26.5 1.0 O3' C:DA514 3.1 30.9 1.0 P D:DG565 3.1 26.4 1.0 P C:DG515 3.2 28.2 1.0 CG B:ASP222 3.5 24.4 1.0 CA B:CA602 3.6 28.0 1.0 CG A:ASP22 3.6 25.4 1.0 O B:GLY221 3.7 27.8 1.0 CA A:CA601 3.8 26.2 1.0 O A:GLY21 3.8 25.3 1.0 C3' D:DC564 3.8 26.8 1.0 O5' D:DG565 4.0 25.6 1.0 C B:GLY221 4.1 25.2 1.0 C3' C:DA514 4.1 28.9 1.0 CA B:ASP222 4.1 26.7 1.0 C4' D:DC564 4.2 27.6 1.0 O5' C:DG515 4.2 29.4 1.0 C A:GLY21 4.3 23.0 1.0 OD2 B:ASP222 4.3 20.5 1.0 N B:ASP222 4.3 27.2 1.0 CA A:ASP22 4.3 24.6 1.0 OP1 D:DG565 4.3 29.6 1.0 OP1 D:DC564 4.4 37.5 1.0 OD2 A:ASP22 4.4 21.5 1.0 OP1 C:DG515 4.4 30.0 1.0 CB B:ASP222 4.4 26.8 1.0 C4' C:DA514 4.5 27.1 1.0 N A:ASP22 4.5 23.4 1.0 CB A:ASP22 4.6 24.6 1.0 OP1 C:DA514 4.8 31.8 1.0 O D:HOH39 4.9 36.3 1.0 O C:HOH8 4.9 28.8 1.0

J.Ashworth, J.J.Havranek, C.M.Duarte, D.Sussman, R.J.Monnat, B.L.Stoddard, D.Baker. Computational Redesign of Endonuclease Dna Binding and Cleavage Specificity. Nature V. 441 656 2006.
ISSN: ISSN 0028-0836
PubMed: 16738662
DOI: 10.1038/NATURE04818