Chlorine in PDB 5ncu: Structure of the Subtilisin Induced Serpin-Type Proteinase Inhibitor, Miropin.

The structure of Structure of the Subtilisin Induced Serpin-Type Proteinase Inhibitor, Miropin., PDB code: 5ncu was solved by T.Goulas, M.Ksiazek, I.Garcia-Ferrer, D.Mizgalska, J.Potempa, X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.89 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.000, 70.040, 90.860, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 18.4

The structure of Structure of the Subtilisin Induced Serpin-Type Proteinase Inhibitor, Miropin. also contains other interesting chemical elements:

Potassium	(K)	1 atom
Iodine	(I)	6 atoms

The binding sites of Chlorine atom in the Structure of the Subtilisin Induced Serpin-Type Proteinase Inhibitor, Miropin. (pdb code 5ncu). 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 Structure of the Subtilisin Induced Serpin-Type Proteinase Inhibitor, Miropin., PDB code: 5ncu:

Chlorine binding site 1 out of 1 in the Structure of the Subtilisin Induced Serpin-Type Proteinase Inhibitor, Miropin.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Subtilisin Induced Serpin-Type Proteinase Inhibitor, Miropin. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:28.4 occ:1.00 O A:HOH626 2.9 30.6 1.0 O2 A:GOL412 3.0 59.4 0.8 K A:K401 3.0 17.6 1.0 NZ A:LYS312 3.2 60.2 1.0 N A:GLY309 3.5 20.8 1.0 CA A:TYR308 3.9 18.8 1.0 O A:GLY309 4.0 21.9 1.0 CG1 A:VAL59 4.1 25.9 1.0 CE A:LYS312 4.2 56.5 1.0 CB A:TYR308 4.2 18.7 1.0 C A:TYR308 4.2 21.1 1.0 O A:HOH550 4.2 23.9 1.0 CD1 A:TYR308 4.3 21.6 1.0 C2 A:GOL412 4.3 58.0 0.8 C A:GLY309 4.4 22.9 1.0 O A:HOH858 4.4 72.7 1.0 CA A:GLY309 4.4 19.7 1.0 CD1 A:ILE314 4.5 22.3 1.0 C3 A:GOL412 4.7 56.3 0.8 C1 A:GOL412 4.7 58.8 0.8 CG A:TYR308 4.7 19.2 1.0 O A:LYS307 4.8 22.4 1.0

T.Goulas, M.Ksiazek, I.Garcia-Ferrer, A.M.Sochaj-Gregorczyk, I.Waligorska, M.Wasylewski, J.Potempa, F.X.Gomis-Ruth. A Structure-Derived Snap-Trap Mechanism of A Multispecific Serpin From the Dysbiotic Human Oral Microbiome. J. Biol. Chem. V. 292 10883 2017.
ISSN: ESSN 1083-351X
PubMed: 28512127
DOI: 10.1074/JBC.M117.786533