Calcium in PDB 5cjz: BT4246 with Galactose

The structure of BT4246 with Galactose, PDB code: 5cjz was solved by N.M.Koropatkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.88 / 1.80
Space group	P 6 2 2
Cell size a, b, c (Å), α, β, γ (°)	155.925, 155.925, 114.315, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 21.1

The structure of BT4246 with Galactose also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Caesium	(Cs)	3 atoms

The binding sites of Calcium atom in the BT4246 with Galactose (pdb code 5cjz). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the BT4246 with Galactose, PDB code: 5cjz:

Calcium binding site 1 out of 1 in the BT4246 with Galactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of BT4246 with Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:30.0 occ:1.00 OD2 A:ASP481 2.4 11.1 1.0 O A:THR496 2.4 11.4 1.0 O A:SER331 2.4 8.5 1.0 O A:HOH1203 2.4 7.7 1.0 O A:HOH873 2.5 10.1 1.0 O A:HOH843 2.5 15.1 1.0 O A:HOH1144 2.5 10.3 1.0 CG A:ASP481 3.3 11.2 1.0 C A:THR496 3.6 11.7 1.0 C A:SER331 3.6 8.9 1.0 CB A:ASP481 4.0 11.5 1.0 N A:THR496 4.2 12.4 1.0 OD1 A:ASP481 4.2 12.5 1.0 CA A:THR496 4.2 12.8 1.0 CB A:SER331 4.2 11.9 1.0 CB A:THR496 4.3 16.6 1.0 O A:HOH857 4.3 13.3 1.0 O A:SER497 4.4 10.4 1.0 OG A:SER331 4.4 9.0 1.0 C A:SER497 4.4 11.0 1.0 OE1 A:GLU336 4.5 13.8 1.0 O A:HOH1007 4.5 10.8 1.0 CB A:ALA498 4.5 12.2 1.0 CA A:SER331 4.5 9.4 1.0 CA A:THR332 4.5 12.6 1.0 N A:THR332 4.5 11.1 1.0 N A:SER497 4.6 14.6 1.0 OE2 A:GLU336 4.6 18.4 1.0 CG2 A:THR332 4.7 11.6 1.0 CA A:ASP481 4.7 9.9 1.0 N A:ALA498 4.7 10.0 1.0 CA A:SER497 4.8 11.3 1.0 O A:HOH1092 4.9 7.6 1.0 CD A:GLU336 5.0 17.1 1.0

D.A.Ndeh, S.Nakjang, K.J.Kwiatkowski, N.M.Koropatkin, R.P.Hirt, D.N.Bolam. Mechanistic Insight Into Mucin Degradation By the Human Gut Microbiota Reveals Targeting of the Glycoprotein Core To Be Published.