Sodium in PDB 4xlc: Tailspike Protein Double Mutant D339N/E372A of E. Coli Bacteriophage HK620

The structure of Tailspike Protein Double Mutant D339N/E372A of E. Coli Bacteriophage HK620, PDB code: 4xlc was solved by U.Gohlke, N.K.Broeker, U.Heinemann, R.Seckler, S.Barbirz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.67 / 1.85
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.176, 74.176, 174.695, 90.00, 90.00, 120.00
R / Rfree (%)	14.8 / 19.9

The binding sites of Sodium atom in the Tailspike Protein Double Mutant D339N/E372A of E. Coli Bacteriophage HK620 (pdb code 4xlc). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Tailspike Protein Double Mutant D339N/E372A of E. Coli Bacteriophage HK620, PDB code: 4xlc:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Tailspike Protein Double Mutant D339N/E372A of E. Coli Bacteriophage HK620


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Tailspike Protein Double Mutant D339N/E372A of E. Coli Bacteriophage HK620 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na806 b:43.5 occ:1.00 OD1 A:ASN517 2.4 28.2 1.0 O A:HOH1272 2.5 34.0 1.0 O A:HOH1273 3.1 49.8 1.0 CG A:ASN517 3.5 21.4 1.0 ND2 A:ASN517 4.1 24.4 1.0 O A:HOH1213 4.2 25.9 1.0 CB A:ASN517 4.7 17.5 1.0

Sodium binding site 2 out of 2 in the Tailspike Protein Double Mutant D339N/E372A of E. Coli Bacteriophage HK620


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Tailspike Protein Double Mutant D339N/E372A of E. Coli Bacteriophage HK620 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na807 b:23.7 occ:1.00 OE1 A:GLN594 2.3 31.8 1.0 O A:HOH1305 2.3 30.4 1.0 O A:SER592 2.4 22.3 1.0 O A:HOH1312 2.4 45.0 1.0 O A:HOH1348 2.5 39.5 1.0 O A:ALA565 2.5 15.4 1.0 CD A:GLN594 3.4 27.6 1.0 C A:ALA565 3.4 15.8 1.0 C A:SER592 3.6 22.0 1.0 CA A:ALA565 3.6 16.4 1.0 NE2 A:GLN594 3.8 27.9 1.0 O A:HOH1051 3.9 34.7 1.0 CB A:ALA565 4.0 16.8 1.0 N A:GLN594 4.2 19.0 1.0 O A:HOH1438 4.4 46.3 1.0 CA A:CYS593 4.4 19.4 1.0 N A:CYS593 4.5 20.0 1.0 CA A:SER592 4.5 22.9 1.0 O A:HOH1416 4.5 41.4 1.0 O A:HOH1266 4.6 32.2 1.0 CG A:GLN594 4.7 24.4 1.0 N A:SER566 4.7 15.2 1.0 C A:CYS593 4.7 19.8 1.0 CB A:SER592 4.8 23.9 1.0 O A:PHE564 4.9 19.2 1.0 N A:ALA565 5.0 16.4 1.0

U.Gohlke, N.K.Broeker, S.Kunstmann, M.Santer, U.Heinemann, R.Lipowski, R.Seckler, S.Barbirz. Enthalpic Cost of Water Removal From A Hydrophobic Glucose Binding Cavity on HK620 Tailspike Protein. To Be Published.