Chlorine in PDB 9gcy: Xenosiderophore-Binding Lipoprotein Xusb From Bacteroides Thetaiotaomicron

The structure of Xenosiderophore-Binding Lipoprotein Xusb From Bacteroides Thetaiotaomicron, PDB code: 9gcy was solved by A.Silale, H.Mark, B.Van Den Berg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.94 / 1.56
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.705, 108.633, 93.894, 90, 96.57, 90
R / Rfree (%)	17.6 / 20.7

The structure of Xenosiderophore-Binding Lipoprotein Xusb From Bacteroides Thetaiotaomicron also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Xenosiderophore-Binding Lipoprotein Xusb From Bacteroides Thetaiotaomicron (pdb code 9gcy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Xenosiderophore-Binding Lipoprotein Xusb From Bacteroides Thetaiotaomicron, PDB code: 9gcy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Xenosiderophore-Binding Lipoprotein Xusb From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Xenosiderophore-Binding Lipoprotein Xusb From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:22.7 occ:1.00 O A:HOH1087 3.0 38.8 1.0 O A:HOH1060 3.2 22.3 1.0 N A:ASN179 3.3 17.3 1.0 N A:ASP178 3.5 16.4 1.0 C A:GLY240 3.5 18.5 1.0 CA A:GLY240 3.7 16.7 1.0 O A:GLY240 3.7 17.9 1.0 CB A:ASP178 3.8 17.8 1.0 CB A:ASN179 3.8 20.3 1.0 CB A:ALA177 3.9 17.6 1.0 CA A:ASP178 3.9 15.9 1.0 CG A:ASN179 3.9 26.3 1.0 C A:ASP178 4.0 18.0 1.0 N A:ASP241 4.0 17.3 1.0 OD1 A:ASN179 4.1 19.1 1.0 CA A:ASN179 4.2 19.8 1.0 C A:ALA177 4.3 16.0 1.0 ND2 A:ASN179 4.5 21.7 1.0 CA A:ALA177 4.6 15.2 1.0 O A:HOH1134 4.7 42.2 1.0 CA A:ASP241 4.7 16.1 1.0 CB A:ASP241 4.7 20.1 1.0 CG A:ASP178 4.8 18.6 1.0 N A:GLY240 4.9 16.5 1.0

Chlorine binding site 2 out of 2 in the Xenosiderophore-Binding Lipoprotein Xusb From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Xenosiderophore-Binding Lipoprotein Xusb From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:23.7 occ:1.00 O B:HOH1060 2.9 45.0 1.0 O B:HOH1056 3.1 21.8 1.0 N B:ASN179 3.3 20.0 1.0 N B:ASP178 3.4 19.6 1.0 O B:HOH1062 3.4 36.4 1.0 C B:GLY240 3.5 14.6 1.0 O B:GLY240 3.6 17.2 1.0 CB B:ASP178 3.7 19.5 1.0 CA B:GLY240 3.7 19.2 1.0 CB B:ALA177 3.8 17.7 1.0 CA B:ASP178 3.9 21.8 1.0 CB B:ASN179 3.9 19.7 1.0 CG B:ASN179 3.9 23.7 1.0 N B:ASP241 4.0 17.0 1.0 C B:ASP178 4.0 25.4 1.0 OD1 B:ASN179 4.0 20.8 1.0 CA B:ASN179 4.2 21.9 1.0 C B:ALA177 4.2 17.2 1.0 ND2 B:ASN179 4.5 23.9 1.0 CA B:ALA177 4.6 14.5 1.0 O B:HOH1100 4.6 37.1 1.0 CG B:ASP178 4.7 23.5 1.0 CA B:ASP241 4.7 18.3 1.0 N B:GLY240 4.8 19.1 1.0 CB B:ASP241 4.8 17.9 1.0 OD2 B:ASP178 5.0 26.7 1.0

A.Silale, Y.L.Soo, H.Mark, A.Basle, B.Van Den Berg. Structural Basis of Iron Piracy By Human Gut Bacteroides To Be Published.