Chlorine in PDB 6y9j: Crystal Structure of Subtype-Switched Epithelial Adhesin 1 to 9 A Domain (EPA1-CBL2EPA9) From Candida Glabrata in Complex with Beta- Lactose

The structure of Crystal Structure of Subtype-Switched Epithelial Adhesin 1 to 9 A Domain (EPA1-CBL2EPA9) From Candida Glabrata in Complex with Beta- Lactose, PDB code: 6y9j was solved by D.Hoffmann, R.Diderrich, M.Kock, S.Friederichs, V.Reithofer, L.-O.Essen, H.-U.Moesch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.55 / 1.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.220, 104.140, 69.090, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 16.7

The structure of Crystal Structure of Subtype-Switched Epithelial Adhesin 1 to 9 A Domain (EPA1-CBL2EPA9) From Candida Glabrata in Complex with Beta- Lactose also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Subtype-Switched Epithelial Adhesin 1 to 9 A Domain (EPA1-CBL2EPA9) From Candida Glabrata in Complex with Beta- Lactose (pdb code 6y9j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Subtype-Switched Epithelial Adhesin 1 to 9 A Domain (EPA1-CBL2EPA9) From Candida Glabrata in Complex with Beta- Lactose, PDB code: 6y9j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Subtype-Switched Epithelial Adhesin 1 to 9 A Domain (EPA1-CBL2EPA9) From Candida Glabrata in Complex with Beta- Lactose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Subtype-Switched Epithelial Adhesin 1 to 9 A Domain (EPA1-CBL2EPA9) From Candida Glabrata in Complex with Beta- Lactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:26.6 occ:0.81 H A:CYS179 2.4 17.6 1.0 HB2 A:CYS179 2.8 18.5 1.0 O A:HOH459 2.9 29.2 1.0 O A:HOH512 3.2 26.3 1.0 N A:CYS179 3.2 14.7 1.0 O A:HOH695 3.2 51.2 1.0 HB1 A:ALA173 3.3 19.9 1.0 SG A:CYS179 3.4 15.6 1.0 CB A:CYS179 3.5 15.4 1.0 HB3 A:PRO263 3.5 25.0 1.0 HB3 A:ASP178 3.6 21.2 1.0 HA A:ASP178 3.6 18.0 1.0 HA A:PRO263 3.7 20.8 1.0 CA A:CYS179 4.0 14.8 1.0 O A:HOH500 4.0 31.3 1.0 CB A:ALA173 4.1 16.6 1.0 HB2 A:ALA173 4.2 19.9 1.0 C A:ASP178 4.2 14.7 1.0 CA A:ASP178 4.2 15.0 1.0 CB A:ASP178 4.3 17.7 1.0 HB3 A:CYS179 4.3 18.5 1.0 CB A:PRO263 4.3 20.9 1.0 CA A:PRO263 4.4 17.3 1.0 HB3 A:ALA173 4.4 19.9 1.0 HB2 A:ALA39 4.6 51.1 1.0 HA A:CYS179 4.6 17.7 1.0 O A:CYS179 4.8 16.5 1.0 OD1 A:ASP178 4.8 22.3 1.0 HB2 A:PRO263 4.8 25.0 1.0 O A:HOH545 4.8 47.7 1.0 CG A:ASP178 4.8 19.4 1.0 C A:CYS179 4.9 15.1 1.0 N A:ALA39 4.9 42.1 1.0 HD3 A:PRO263 4.9 23.0 1.0 N A:PRO263 4.9 17.4 1.0 HB3 A:ALA39 5.0 51.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Subtype-Switched Epithelial Adhesin 1 to 9 A Domain (EPA1-CBL2EPA9) From Candida Glabrata in Complex with Beta- Lactose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Subtype-Switched Epithelial Adhesin 1 to 9 A Domain (EPA1-CBL2EPA9) From Candida Glabrata in Complex with Beta- Lactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:16.2 occ:0.57 H A:TYR228 2.3 13.5 1.0 H A:THR120 2.3 17.6 1.0 O A:THR120 2.7 14.3 1.0 O A:LYS117 2.8 16.0 1.0 HA A:TYR228 2.8 13.7 1.0 HA2 A:GLY118 2.9 19.6 1.0 N A:TYR228 3.0 11.3 1.0 HZ A:PHE70 3.1 17.1 1.0 HG21 A:THR139 3.1 15.3 1.0 N A:THR120 3.1 14.7 1.0 HB A:THR139 3.2 13.5 1.0 H A:CYS119 3.2 17.6 1.0 OD1 A:ASP227 3.4 12.6 1.0 CA A:TYR228 3.4 11.4 1.0 N A:CYS119 3.4 14.7 1.0 HG22 A:THR139 3.4 15.3 1.0 HB A:THR120 3.5 20.7 1.0 C A:GLY118 3.6 15.3 1.0 CG2 A:THR139 3.6 12.7 1.0 C A:THR120 3.6 14.2 1.0 CA A:GLY118 3.6 16.4 1.0 HD1 A:TYR228 3.6 17.1 1.0 HB2 A:TYR228 3.7 15.0 1.0 CA A:THR120 3.8 15.7 1.0 C A:LYS117 3.8 16.4 1.0 CB A:THR139 3.8 11.2 1.0 CZ A:PHE70 3.8 14.3 1.0 HA A:ASP227 4.0 13.3 1.0 HG3 A:GLN122 4.0 16.0 1.0 CB A:TYR228 4.1 12.5 1.0 CB A:THR120 4.1 17.3 1.0 HB1 A:ALA115 4.1 15.7 1.0 C A:CYS119 4.2 15.6 1.0 C A:ASP227 4.2 10.8 1.0 N A:GLY118 4.2 17.2 1.0 CA A:CYS119 4.3 15.3 1.0 O A:GLY118 4.3 15.9 1.0 HA3 A:GLY118 4.4 19.6 1.0 HE1 A:PHE70 4.4 17.2 1.0 CD1 A:TYR228 4.4 14.3 1.0 HA A:CYS119 4.4 18.4 1.0 CG A:ASP227 4.5 12.4 1.0 HG1 A:THR120 4.5 22.2 1.0 HG23 A:THR139 4.5 15.3 1.0 CE1 A:PHE70 4.6 14.3 1.0 OG1 A:THR139 4.6 11.3 1.0 CA A:ASP227 4.6 11.1 1.0 HE2 A:PHE70 4.6 17.1 1.0 C A:TYR228 4.6 11.1 1.0 CE2 A:PHE70 4.7 14.2 1.0 HA A:THR120 4.7 18.9 1.0 H A:LYS117 4.7 18.1 1.0 HB2 A:ALA115 4.8 15.7 1.0 CG A:TYR228 4.8 12.8 1.0 CB A:ALA115 4.8 13.1 1.0 N A:PRO121 4.8 14.9 1.0 HG1 A:THR139 4.8 13.6 1.0 O A:TYR228 4.8 10.9 1.0 OG1 A:THR120 4.9 18.5 1.0 HB3 A:ALA115 4.9 15.7 1.0 HA A:PRO121 4.9 16.5 1.0 HB3 A:TYR228 4.9 15.0 1.0 CG A:GLN122 4.9 13.3 1.0

D.Hoffmann, R.Diderrich, V.Reithofer, S.Friederichs, M.Kock, L.O.Essen, H.U.Mosch. Functional Reprogramming Ofcandida Glabrataepithelial Adhesins: the Role of Conserved and Variable Structural Motifs in Ligand Binding. J.Biol.Chem. V. 295 12512 2020.
ISSN: ESSN 1083-351X
PubMed: 32669365
DOI: 10.1074/JBC.RA120.013968