Chlorine in PDB 3roh: Crystal Structure of Leukotoxin (Luke) From Staphylococcus Aureus Subsp. Aureus Col.

The structure of Crystal Structure of Leukotoxin (Luke) From Staphylococcus Aureus Subsp. Aureus Col., PDB code: 3roh was solved by G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.94 / 3.20
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	133.904, 133.904, 64.473, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.4

The binding sites of Chlorine atom in the Crystal Structure of Leukotoxin (Luke) From Staphylococcus Aureus Subsp. Aureus Col. (pdb code 3roh). 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 Leukotoxin (Luke) From Staphylococcus Aureus Subsp. Aureus Col., PDB code: 3roh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Leukotoxin (Luke) From Staphylococcus Aureus Subsp. Aureus Col.


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 Leukotoxin (Luke) From Staphylococcus Aureus Subsp. Aureus Col. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl313 b:0.8 occ:1.00 N A:THR164 3.4 94.1 1.0 NZ A:LYS77 3.5 87.2 1.0 OG1 A:THR164 3.6 99.7 1.0 CD A:LYS163 4.0 99.1 1.0 CA A:LYS163 4.0 94.7 1.0 O A:THR164 4.0 92.4 1.0 C A:LYS163 4.2 93.3 1.0 CG A:LYS163 4.3 94.5 1.0 CE A:LYS163 4.3 0.6 1.0 CA A:THR164 4.3 93.9 1.0 CB A:THR164 4.5 97.0 1.0 C A:THR164 4.7 91.7 1.0 CE A:LYS77 4.7 85.7 1.0 O A:SER162 4.7 99.6 1.0 CB A:LYS163 4.7 93.5 1.0 NZ A:LYS163 4.8 0.2 1.0 CD A:LYS77 4.9 87.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Leukotoxin (Luke) From Staphylococcus Aureus Subsp. Aureus Col.


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 Leukotoxin (Luke) From Staphylococcus Aureus Subsp. Aureus Col. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl314 b:0.2 occ:1.00 CA A:GLY277 3.9 0.4 1.0 N A:ILE278 3.9 99.5 1.0 C A:GLY277 4.4 0.7 1.0 CG2 A:ILE278 4.4 98.0 1.0 O A:THR276 4.9 0.8 1.0 CB A:ILE278 5.0 97.5 1.0

S.Nocadello, G.Minasov, L.Shuvalova, I.Dubrovska, E.Sabini, F.Bagnoli, G.Grandi, W.F.Anderson. Crystal Structures of the Components of the Staphylococcus Aureus Leukotoxin Ed. Acta Crystallogr.,Sect.D V. 72 113 2016.
ISSN: ISSN 0907-4449
PubMed: 26894539
DOI: 10.1107/S2059798315023207