Chlorine in PDB 5uzu: Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase

All present enzymatic activity of Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase:
1.11.2.2;

The structure of Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase, PDB code: 5uzu was solved by N.De Jong, B.V.Geisbrecht, J.Van Strijp, P.Haas, R.Nijland, K.Ramyar, C.Fevre, F.Guerra, J.Voyich-Kane, C.Van Kessel, B.Garcia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.34 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	129.034, 92.944, 80.394, 90.00, 120.14, 90.00
R / Rfree (%)	18.4 / 24.1

The structure of Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase (pdb code 5uzu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase, PDB code: 5uzu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:58.0 occ:1.00 O A:HIS261 2.7 34.9 1.0 O A:HOH951 2.9 34.5 1.0 OG A:SER340 2.9 37.1 1.0 C A:SER340 3.0 36.9 1.0 N A:MET341 3.1 36.5 1.0 O A:SER340 3.2 36.2 1.0 CB A:SER340 3.4 37.1 1.0 CA A:MET341 3.5 36.7 1.0 CD1 A:LEU333 3.5 39.4 1.0 CA A:ASP262 3.6 35.9 1.0 C A:HIS261 3.7 35.5 1.0 CA A:SER340 3.8 37.9 1.0 O A:ASP262 3.8 33.5 1.0 CD2 A:LEU333 3.9 40.1 1.0 C A:ASP262 3.9 34.4 1.0 CB A:MET341 3.9 37.0 1.0 CG A:LEU333 4.0 39.9 1.0 CB A:LEU333 4.0 39.4 1.0 N A:ASP262 4.1 35.6 1.0 OG A:SER345 4.1 44.4 1.0 OD1 A:ASP262 4.2 41.4 1.0 CB A:ASP403 4.5 42.3 1.0 N A:SER340 4.5 40.0 1.0 OD1 A:ASP403 4.6 42.5 1.0 CA A:CA802 4.6 38.9 1.0 O A:GLY402 4.7 43.1 1.0 CB A:ASP262 4.7 37.9 1.0 N A:LEU263 4.8 35.1 1.0 CG A:ASP262 4.9 40.0 1.0 C A:MET341 4.9 37.6 1.0 CA A:ASP403 4.9 42.4 1.0 C A:GLY402 5.0 43.2 1.0

Chlorine binding site 2 out of 3 in the Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:41.7 occ:1.00 O A:HOH990 2.8 41.5 1.0 N A:TRP198 3.3 42.3 1.0 N A:VAL493 3.4 37.5 1.0 CH2 A:TRP602 3.5 41.2 1.0 CA A:ARG197 3.6 43.9 1.0 CZ2 A:TRP602 3.8 41.7 1.0 N A:ASN492 3.8 39.4 1.0 CB A:ASN492 3.8 37.2 1.0 CB A:VAL493 3.8 38.0 1.0 CG1 A:VAL493 3.9 37.7 1.0 C A:ARG197 3.9 42.4 1.0 O A:VAL196 4.0 43.1 1.0 N A:LEU199 4.1 43.1 1.0 CA A:ASN492 4.1 38.0 1.0 C A:ASN492 4.2 37.2 1.0 CA A:VAL493 4.2 38.3 1.0 CB A:ARG197 4.2 45.8 1.0 CD2 A:LEU596 4.2 33.2 1.0 CA A:TRP198 4.3 42.8 1.0 O A:LEU199 4.3 44.1 1.0 CG A:ARG197 4.3 47.0 1.0 CB A:TRP198 4.3 42.6 1.0 CB A:ALA491 4.5 41.1 1.0 C A:ALA491 4.6 40.7 1.0 NH1 A:ARG197 4.6 46.3 1.0 C A:TRP198 4.7 43.6 1.0 N A:ARG197 4.7 43.3 1.0 CZ3 A:TRP602 4.8 41.1 1.0 C A:VAL196 4.8 42.9 1.0 CA A:ALA491 4.9 40.8 1.0 CG A:TRP198 4.9 42.0 1.0

Chlorine binding site 3 out of 3 in the Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Immune Evasion By A Staphylococcal Peroxidase Inhibitor That Blocks Myeloperoxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:74.4 occ:1.00 O A:HOH985 2.8 43.3 1.0 ND2 A:ASN558 2.9 39.0 1.0 O A:ARG656 3.2 42.7 1.0 CD2 A:LEU651 3.5 41.1 1.0 O A:HOH993 3.6 35.9 1.0 CA A:VAL657 3.7 41.1 1.0 CA A:VAL647 3.9 38.9 1.0 C A:ARG656 4.1 42.4 1.0 CG1 A:VAL657 4.1 40.5 1.0 O A:VAL647 4.2 39.9 1.0 CG A:ASN558 4.2 39.3 1.0 CB A:VAL647 4.3 38.1 1.0 CD2 A:TYR500 4.3 39.7 1.0 N A:VAL657 4.3 41.3 1.0 CB A:VAL657 4.3 40.8 1.0 CG1 A:VAL647 4.4 38.4 1.0 CD1 A:LEU661 4.4 36.7 1.0 O A:GLY646 4.5 37.3 1.0 N A:GLY658 4.5 42.4 1.0 C A:VAL647 4.5 39.7 1.0 C A:VAL657 4.5 42.0 1.0 OG1 A:THR503 4.6 38.5 1.0 CB A:TYR500 4.6 37.2 1.0 CB A:ASN558 4.7 39.7 1.0 N A:VAL647 4.8 38.2 1.0 CG A:TYR500 4.9 38.9 1.0 CG A:LEU651 5.0 41.9 1.0

N.W.M.De Jong, K.X.Ramyar, F.E.Guerra, R.Nijland, C.Fevre, J.M.Voyich, A.J.Mccarthy, B.L.Garcia, K.P.M.Van Kessel, J.A.G.Van Strijp, B.V.Geisbrecht, P.A.Haas. Immune Evasion By A Staphylococcal Inhibitor of Myeloperoxidase. Proc. Natl. Acad. Sci. V. 114 9439 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28808028
DOI: 10.1073/PNAS.1707032114