Calcium in PDB 4cp1: Crystal Structure of Epithelial Adhesin 9 A Domain (EPA9A) From Candida Glabrata in Complex with GALB1-3GLCNAC

The structure of Crystal Structure of Epithelial Adhesin 9 A Domain (EPA9A) From Candida Glabrata in Complex with GALB1-3GLCNAC, PDB code: 4cp1 was solved by M.Kock, M.Maestre-Reyna, R.Diderrich, 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)	33.35 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.660, 66.660, 117.670, 90.00, 90.00, 120.00
R / Rfree (%)	16.977 / 23.056

The structure of Crystal Structure of Epithelial Adhesin 9 A Domain (EPA9A) From Candida Glabrata in Complex with GALB1-3GLCNAC also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Epithelial Adhesin 9 A Domain (EPA9A) From Candida Glabrata in Complex with GALB1-3GLCNAC (pdb code 4cp1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Epithelial Adhesin 9 A Domain (EPA9A) From Candida Glabrata in Complex with GALB1-3GLCNAC, PDB code: 4cp1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Epithelial Adhesin 9 A Domain (EPA9A) From Candida Glabrata in Complex with GALB1-3GLCNAC


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Epithelial Adhesin 9 A Domain (EPA9A) From Candida Glabrata in Complex with GALB1-3GLCNAC within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1294 b:15.4 occ:1.00 O A:ASP258 2.3 17.1 1.0 OD1 A:ASN256 2.3 12.1 1.0 O3 A:GAL1295 2.3 17.4 1.0 O4 A:GAL1295 2.3 17.3 1.0 OD1 A:ASP197 2.4 16.4 1.0 O A:HIS260 2.4 17.2 1.0 OD1 A:ASP196 2.4 14.9 1.0 C4 A:GAL1295 3.2 19.0 1.0 C3 A:GAL1295 3.3 19.2 1.0 CG A:ASP197 3.4 15.8 1.0 CG A:ASP196 3.4 15.4 1.0 CG A:ASN256 3.4 12.1 1.0 C A:ASP258 3.5 16.5 1.0 C A:HIS260 3.6 17.9 1.0 OD2 A:ASP196 3.7 15.6 1.0 OD2 A:ASP197 3.8 16.2 1.0 N A:HIS260 3.9 18.0 1.0 N A:ASP258 4.0 14.8 1.0 ND2 A:ASN256 4.0 12.2 1.0 C2 A:GAL1295 4.1 21.1 1.0 C A:TYR259 4.1 17.6 1.0 CA A:ASP258 4.3 15.9 1.0 CA A:HIS260 4.3 18.2 1.0 N A:ASP197 4.3 14.5 1.0 O A:TYR259 4.4 17.1 1.0 C A:ASP196 4.4 14.6 1.0 N A:ARG257 4.4 13.3 1.0 N A:TYR259 4.4 17.0 1.0 O A:ASP196 4.5 14.6 1.0 CB A:ASP197 4.5 15.0 1.0 C5 A:GAL1295 4.6 19.4 1.0 CA A:TYR259 4.6 17.9 1.0 N A:SER261 4.7 18.1 1.0 CB A:ASN256 4.7 11.8 1.0 CG A:ARG257 4.7 14.6 1.0 CB A:ASP196 4.7 15.4 1.0 CB A:TYR259 4.8 19.2 1.0 CA A:ASN256 4.8 11.9 1.0 CB A:ASP258 4.8 16.6 1.0 CA A:ASP197 4.8 14.9 1.0 O2 A:GAL1295 4.8 19.6 1.0 CB A:HIS260 4.9 18.8 1.0 CA A:SER261 5.0 17.5 1.0 C A:ASN256 5.0 12.4 1.0 O5 A:GAL1295 5.0 21.7 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Epithelial Adhesin 9 A Domain (EPA9A) From Candida Glabrata in Complex with GALB1-3GLCNAC


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Epithelial Adhesin 9 A Domain (EPA9A) From Candida Glabrata in Complex with GALB1-3GLCNAC within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1297 b:28.0 occ:1.00 O A:HOH2012 2.2 8.8 1.0 OD1 A:ASP66 2.2 14.0 1.0 NE2 A:HIS64 2.3 15.9 1.0 O A:HOH2013 2.4 23.2 1.0 OD2 A:ASP66 2.6 14.2 1.0 CG A:ASP66 2.7 13.7 1.0 CE1 A:HIS64 2.9 16.0 1.0 CD2 A:HIS64 3.5 15.3 1.0 CB A:SER132 4.1 14.6 1.0 O A:HOH2015 4.1 21.0 1.0 ND1 A:HIS64 4.2 15.9 1.0 O A:HOH2014 4.2 17.5 1.0 CB A:ASP66 4.2 13.0 1.0 O A:HOH2017 4.4 22.1 1.0 O A:MET65 4.5 13.3 1.0 CG A:HIS64 4.5 15.2 1.0 O A:HOH2059 4.5 27.5 1.0 OG A:SER132 4.6 14.8 1.0 O A:HOH2016 4.8 13.1 1.0 CA A:ASP66 4.8 12.5 1.0

R.Diderrich, M.Kock, M.Maestre-Reyna, S.Rupp, L.-O.Essen, H.-U.Moesch. The Structure and Function of the Epithelial Adhesins To Be Published.