Chlorine in PDB 4bwr: Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying An Slr Fold

The structure of Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying An Slr Fold, PDB code: 4bwr was solved by D.Urosev, M.Ferrer-Navarro, I.Pastorello, E.Cartocci, L.Costenaro, D.Zhulenkovs, J.-D.Marechal, A.Leonchiks, D.Reverter, L.Serino, M.Soriani, X.Daura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.891 / 1.74
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.940, 58.520, 88.350, 90.00, 103.82, 90.00
R / Rfree (%)	15.51 / 19.19

The structure of Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying An Slr Fold also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying An Slr Fold (pdb code 4bwr). 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 C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying An Slr Fold, PDB code: 4bwr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying An Slr Fold


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 C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying An Slr Fold within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1469 b:21.3 occ:1.00 O A:HOH3162 3.2 30.1 1.0 NH1 A:ARG123 3.4 37.3 1.0 NH2 A:ARG123 3.6 37.5 1.0 CZ A:ARG123 4.0 36.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying An Slr Fold


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 C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying An Slr Fold within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1470 b:18.6 occ:1.00 OH A:TYR272 3.0 11.9 1.0 CE2 A:TYR272 3.7 8.6 1.0 NE2 A:HIS276 3.7 11.8 1.0 CZ A:TYR272 3.8 8.4 1.0 O2 A:EDO1485 3.8 31.7 1.0 C2 A:EDO1485 3.9 37.8 1.0 CE1 A:HIS276 3.9 17.3 1.0 CD2 A:HIS276 4.1 10.2 1.0 O A:HOH3164 4.2 34.0 1.0 ND1 A:HIS276 4.3 15.4 1.0 O A:HOH3060 4.4 17.4 1.0 CG A:HIS276 4.4 13.6 1.0 CE1 A:TYR273 4.5 10.7 1.0 C1 A:EDO1485 4.7 39.0 1.0 CD2 A:TYR272 5.0 9.1 1.0

D.Urosev, M.Ferrer-Navarro, I.Pastorello, E.Cartocci, L.Costenaro, D.Zhulenkovs, J.Marechal, A.Leonchiks, D.Reverter, L.Serino, M.Soriani, X.Daura. Crystal Structure of C5321: A Protective Antigen Present in Uropathogenic Escherichia Coli Strains Displaying An Slr Fold. Bmc Struct.Biol. V. 13 19 2013.
ISSN: ISSN 1472-6807
PubMed: 24099525
DOI: 10.1186/1472-6807-13-19