Sodium in PDB 5mu9: Moa-E-64 Complex

The structure of Moa-E-64 Complex, PDB code: 5mu9 was solved by G.Cordara, D.Manna, U.Krengel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.38 / 1.30
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	120.934, 120.934, 99.851, 90.00, 90.00, 120.00
R / Rfree (%)	14.6 / 18.3

The structure of Moa-E-64 Complex also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Sodium atom in the Moa-E-64 Complex (pdb code 5mu9). 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 Moa-E-64 Complex, PDB code: 5mu9:

Sodium binding site 1 out of 1 in the Moa-E-64 Complex


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Moa-E-64 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Na315 b:24.1 occ:1.00 O A:HOH622 2.0 27.9 1.0 O A:HOH580 2.1 21.7 1.0 O A:GLN276 2.2 16.9 1.0 O A:HOH402 2.5 24.7 1.0 O A:HOH427 3.0 21.6 1.0 C A:GLN276 3.4 13.1 1.0 O A:HOH597 3.5 33.6 1.0 O A:PRO204 3.7 19.7 1.0 O A:HOH555 4.0 23.7 1.0 CA A:GLN276 4.3 10.3 1.0 CA A:ASN277 4.3 12.4 1.0 N A:ASN277 4.3 11.5 1.0 O A:SER206 4.4 15.7 1.0 C A:PRO204 4.7 13.6 1.0 CB A:ASN277 4.7 15.4 1.0 CB A:GLN276 4.8 10.4 1.0 O A:LEU203 4.8 13.0 1.0 CA A:PRO204 4.9 12.8 1.0

G.Cordara, D.Manna, U.Krengel. Family of Papain-Like Fungal Chimerolectins with Distinct Ca(2+)-Dependent Activation Mechanism. Biochemistry V. 56 4689 2017.
ISSN: ISSN 1520-4995
PubMed: 28665586
DOI: 10.1021/ACS.BIOCHEM.7B00317