Chlorine in PDB 6bea: Crystal Structure of the Autotransporter Upab From E. Coli Strain CFT073

The structure of Crystal Structure of the Autotransporter Upab From E. Coli Strain CFT073, PDB code: 6bea was solved by J.J.Paxman, B.Heras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.44 / 1.97
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.611, 68.611, 165.568, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 21.9

The structure of Crystal Structure of the Autotransporter Upab From E. Coli Strain CFT073 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 the Autotransporter Upab From E. Coli Strain CFT073 (pdb code 6bea). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Autotransporter Upab From E. Coli Strain CFT073, PDB code: 6bea:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Autotransporter Upab From E. Coli Strain CFT073


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 the Autotransporter Upab From E. Coli Strain CFT073 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:56.5 occ:1.00 N A:GLY204 3.4 35.6 1.0 OD1 A:ASN233 3.5 52.0 1.0 N A:ASN233 3.6 23.4 1.0 NZ A:LYS234 3.6 43.3 1.0 CG A:ASN233 3.7 49.8 1.0 ND2 A:ASN233 3.8 63.4 1.0 CA A:GLY232 3.9 28.1 1.0 O A:HOH657 3.9 41.8 1.0 CA A:GLY204 4.0 33.3 1.0 C A:GLY232 4.3 26.0 1.0 O A:LEU202 4.4 64.4 1.0 C A:GLN203 4.4 47.3 1.0 CA A:GLN203 4.6 49.2 1.0 CB A:ASN233 4.6 34.2 1.0 CA A:ASN233 4.6 26.1 1.0 O A:ALA231 4.6 25.5 1.0 CG A:LYS234 4.7 26.6 1.0 CE A:LYS234 4.8 38.6 1.0 N A:GLY232 4.9 26.3 1.0 N A:LYS234 5.0 22.2 1.0

J.J.Paxman, A.W.Lo, M.J.Sullivan, S.Panjikar, M.Kuiper, A.E.Whitten, G.Wang, C.H.Luan, D.G.Moriel, L.Tan, K.M.Peters, M.D.Phan, C.L.Gee, G.C.Ulett, M.A.Schembri, B.Heras. Unique Structural Features of A Bacterial Autotransporter Adhesin Suggest Mechanisms For Interaction with Host Macromolecules. Nat Commun V. 10 1967 2019.
ISSN: ESSN 2041-1723
PubMed: 31036849
DOI: 10.1038/S41467-019-09814-6