Sodium in PDB 6zzw: Structure of the N Terminal Domain of BC2L-C Lectin (1-131) in Complex with Globo H (H-Type 3) and Cas No 912569-62-1

The structure of Structure of the N Terminal Domain of BC2L-C Lectin (1-131) in Complex with Globo H (H-Type 3) and Cas No 912569-62-1, PDB code: 6zzw was solved by K.Lal, R.Bermeo, A.Imberty, A.Varrot, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.13 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.459, 42.912, 103.345, 90, 96.1, 90
R / Rfree (%)	18.1 / 23.8

The binding sites of Sodium atom in the Structure of the N Terminal Domain of BC2L-C Lectin (1-131) in Complex with Globo H (H-Type 3) and Cas No 912569-62-1 (pdb code 6zzw). 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 Structure of the N Terminal Domain of BC2L-C Lectin (1-131) in Complex with Globo H (H-Type 3) and Cas No 912569-62-1, PDB code: 6zzw:

Sodium binding site 1 out of 1 in the Structure of the N Terminal Domain of BC2L-C Lectin (1-131) in Complex with Globo H (H-Type 3) and Cas No 912569-62-1


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of the N Terminal Domain of BC2L-C Lectin (1-131) in Complex with Globo H (H-Type 3) and Cas No 912569-62-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:16.8 occ:1.00 O A:GLN65 2.3 22.5 1.0 O C:HOH357 2.4 16.4 0.5 O A:HOH360 2.7 17.3 0.5 C A:GLN65 3.1 23.8 1.0 N A:GLY66 3.8 21.9 1.0 CA A:GLY66 3.9 21.1 1.0 CA A:GLN65 4.0 25.7 1.0 O A:HOH360 4.3 15.6 0.5 O A:HOH342 4.4 32.1 1.0 CB A:GLN65 4.7 25.9 1.0

K.Lal, R.Bermeo, J.Cramer, F.Vasile, B.Ernst, A.Bernardi, L.Belvisi, A.Varrot, A.Imberty. Prediction and Validation of A Druggable Site on Virulence Factor of Drug Resistant Burkholderia Cenocepacia. Chemistry 2021.
ISSN: ISSN 0947-6539
PubMed: 33769626
DOI: 10.1002/CHEM.202100252