Calcium in PDB 2xjs: X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and A1,2-Mannobiose

The structure of X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and A1,2-Mannobiose, PDB code: 2xjs was solved by M.Veelders, S.Brueckner, D.Ott, C.Unverzagt, H.-U.Moesch, L.-O.Essen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.44 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.450, 61.960, 106.530, 90.00, 90.00, 90.00
R / Rfree (%)	12.292 / 15.209

The structure of X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and A1,2-Mannobiose also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Calcium atom in the X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and A1,2-Mannobiose (pdb code 2xjs). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and A1,2-Mannobiose, PDB code: 2xjs:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and A1,2-Mannobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and A1,2-Mannobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1272 b:9.3 occ:1.00 OD2 A:ASP160 2.3 14.0 1.0 O A:TRP228 2.3 8.9 1.0 OD1 A:ASN224 2.3 10.7 1.0 O4 A:MAN1277 2.4 12.0 0.9 O A:VAL226 2.4 8.0 1.0 O3 A:MAN1277 2.4 11.3 0.9 OD1 A:ASP161 2.5 4.3 0.2 OD2 A:ASP161 2.6 10.9 0.8 C3 A:MAN1277 3.2 12.5 0.9 C4 A:MAN1277 3.2 14.7 0.9 CG A:ASP160 3.3 13.6 1.0 CG A:ASP161 3.4 7.0 0.2 CG A:ASP161 3.4 10.2 0.8 CG A:ASN224 3.4 8.6 1.0 C A:TRP228 3.5 8.7 1.0 OD1 A:ASP160 3.6 15.6 1.0 C A:VAL226 3.6 8.6 1.0 OD2 A:ASP161 3.6 6.0 0.2 OD1 A:ASP161 3.7 11.4 0.8 ND2 A:ASN224 3.9 10.8 1.0 N A:TRP228 4.0 8.2 1.0 N A:VAL226 4.1 8.5 1.0 C A:SER227 4.2 8.0 1.0 CA A:TRP228 4.3 8.6 1.0 CA A:VAL226 4.4 8.9 1.0 CG1 A:VAL226 4.4 11.7 1.0 C A:ASP160 4.5 10.1 1.0 O A:SER227 4.5 8.1 1.0 N A:GLY229 4.5 9.4 1.0 O A:ASP160 4.5 9.8 1.0 OG A:SER227 4.6 9.3 1.0 N A:ASP161 4.6 9.1 1.0 C5 A:MAN1277 4.6 16.1 0.9 CB A:ASP160 4.6 11.2 1.0 N A:SER227 4.6 8.1 1.0 CB A:ASP161 4.6 9.5 0.8 C2 A:MAN1277 4.6 13.9 0.9 N A:ALA225 4.7 9.2 1.0 CB A:ASN224 4.7 9.4 1.0 CB A:ASP161 4.7 8.8 0.2 CA A:GLY229 4.7 9.7 1.0 CA A:SER227 4.8 8.2 1.0 CA A:ASN224 4.9 9.0 1.0 CB A:TRP228 4.9 8.3 1.0 CA A:ASP160 5.0 11.5 1.0 CA A:ASP161 5.0 9.2 0.2 CA A:ASP161 5.0 9.1 0.8

Calcium binding site 2 out of 2 in the X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and A1,2-Mannobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of the N-Terminal Domain of the Flocculin FLO5 From Saccharomyces Cerevisiae in Complex with Calcium and A1,2-Mannobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1276 b:11.8 occ:0.80 O A:HOH2293 2.3 25.5 1.0 O A:HOH2299 2.3 17.8 0.3 OG A:SER170 2.4 12.6 1.0 O A:HOH2301 2.4 20.7 1.0 O A:HOH2294 2.4 13.6 1.0 O A:HOH2298 2.5 18.7 0.3 OE1 A:GLU174 2.5 14.3 1.0 OE2 A:GLU174 2.6 15.9 1.0 CD A:GLU174 2.9 13.2 1.0 CB A:SER170 3.5 11.7 1.0 O A:HOH2297 4.3 22.7 0.5 CA A:SER170 4.3 11.0 1.0 O A:HOH2296 4.3 19.3 1.0 O A:HOH2018 4.3 21.4 0.5 O A:HOH2020 4.3 14.7 1.0 CG A:GLU174 4.4 12.2 1.0 O A:HOH2421 4.4 18.5 1.0 OE2 A:GLU27 4.5 13.8 1.0 O A:HOH2300 4.5 21.7 0.5 O A:HOH2152 4.7 58.9 1.0 O A:HOH2292 4.8 27.5 0.5 N A:SER170 4.8 10.7 1.0

M.Veelders, S.Brueckner, D.Ott, C.Unverzagt, H.-U.Moesch, L.-O.Essen. Structural Basis of Flocculin-Mediated Social Behavior in Yeast Proc.Natl.Acad.Sci.Usa V. 107 22511 2010.
ISSN: ISSN 0027-8424
PubMed: 21149680
DOI: 10.1073/PNAS.1013210108