Chlorine in PDB 7zvo: Structure of Cbm BT0996-C From Bacteroides Thetaiotaomicron

The structure of Structure of Cbm BT0996-C From Bacteroides Thetaiotaomicron, PDB code: 7zvo was solved by F.Trovao, B.A.Pinheiro, V.G.Correia, A.S.Palma, A.L.Carvalho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.91 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.978, 45.938, 85.823, 90, 90, 90
R / Rfree (%)	17.4 / 22.5

The structure of Structure of Cbm BT0996-C From Bacteroides Thetaiotaomicron also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Structure of Cbm BT0996-C From Bacteroides Thetaiotaomicron (pdb code 7zvo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Cbm BT0996-C From Bacteroides Thetaiotaomicron, PDB code: 7zvo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Cbm BT0996-C 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 Structure of Cbm BT0996-C From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:34.6 occ:1.00 NE A:ARG37 2.9 40.5 1.0 O A:HOH329 3.1 34.3 1.0 N A:TRP106 3.4 19.9 1.0 CD A:ARG37 3.5 36.2 1.0 CD1 A:TRP106 3.7 22.4 1.0 CB A:LYS105 3.8 28.9 1.0 CA A:LYS105 3.8 24.5 1.0 CZ A:ARG37 3.8 46.5 1.0 NH2 A:ARG37 3.9 45.0 1.0 CB A:ARG37 4.0 29.7 1.0 C A:LYS105 4.1 22.9 1.0 CG A:LYS105 4.1 33.9 1.0 CB A:TRP106 4.2 19.9 1.0 CG A:TRP106 4.3 21.4 1.0 CA A:TRP106 4.3 19.6 1.0 O A:HOH344 4.3 32.5 1.0 CG A:ARG37 4.4 29.4 1.0 O A:TRP106 4.6 24.1 1.0 NE1 A:TRP106 4.7 23.3 1.0 CD A:LYS105 4.9 38.3 1.0 C A:TRP106 5.0 23.6 1.0

Chlorine binding site 2 out of 2 in the Structure of Cbm BT0996-C 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 Structure of Cbm BT0996-C From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:68.9 occ:1.00 O A:HOH302 3.8 35.9 1.0 CG1 A:ILE96 4.2 27.9 1.0 O A:GLU94 4.4 32.0 1.0 N A:ILE96 4.5 25.8 1.0 CA A:ASP95 4.6 27.6 1.0 CD1 A:ILE96 4.7 32.1 1.0 C A:GLU94 4.8 27.8 1.0 CD1 A:LEU81 4.8 21.4 1.0 C A:ASP95 4.9 26.6 1.0 N A:ASP95 4.9 22.6 1.0

F.Trovao, V.G.Correia, F.M.Lourenco, D.O.Ribeiro, A.L.Carvalho, A.S.Palma, B.A.Pinheiro. The Structure of A Bacteroides Thetaiotaomicron Carbohydrate-Binding Module Provides New Insight Into the Recognition of Complex Pectic Polysaccharides By the Human Microbiome. J Struct Biol X V. 7 00084 2023.
ISSN: ESSN 2590-1524
PubMed: 36660365
DOI: 10.1016/J.YJSBX.2022.100084