Sodium in PDB 6aq6: X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with N-Acetyllactosamine

The structure of X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with N-Acetyllactosamine, PDB code: 6aq6 was solved by O.Gerlits, R.J.Woods, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.08 / 1.90
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	134.669, 134.669, 81.212, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 25.5

The structure of X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with N-Acetyllactosamine also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Sodium atom in the X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with N-Acetyllactosamine (pdb code 6aq6). 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 X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with N-Acetyllactosamine, PDB code: 6aq6:

Sodium binding site 1 out of 1 in the X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with N-Acetyllactosamine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with N-Acetyllactosamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na311 b:22.3 occ:1.00 O A:HOH589 2.4 42.2 1.0 O A:GLY163 2.5 20.0 1.0 O A:HOH480 2.5 31.5 1.0 O A:HOH519 2.5 30.6 1.0 O A:HOH447 2.6 33.4 1.0 C A:GLY163 3.7 19.3 1.0 O A:HOH582 3.7 45.0 1.0 CA A:GLY163 4.4 23.0 1.0 OH A:TYR229 4.6 23.1 1.0 OG A:SER77 4.6 33.2 1.0 N A:GLN164 4.7 20.7 1.0 O A:HOH574 4.7 40.2 1.0 O A:HOH591 4.7 46.2 1.0 CA A:GLN164 4.8 19.9 1.0 OE1 A:GLU79 4.8 28.9 1.0 O A:HOH441 4.9 25.0 1.0 OE1 A:GLN164 5.0 21.6 1.0

A.Sood, O.O.Gerlits, Y.Ji, N.V.Bovin, L.Coates, R.J.Woods. Defining the Specificity of Carbohydrate-Protein Interactions By Quantifying Functional Group Contributions. J Chem Inf Model V. 58 1889 2018.
ISSN: ESSN 1549-960X
PubMed: 30086239
DOI: 10.1021/ACS.JCIM.8B00120