Chlorine in PDB 6yd5: Saftsz-UCM151 (Comp. 18)

The structure of Saftsz-UCM151 (Comp. 18), PDB code: 6yd5 was solved by C.Fernandez-Tornero, F.M.Ruiz, J.M.Andreu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.22 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.404, 50.182, 88.6, 90, 111.49, 90
R / Rfree (%)	18.4 / 23.4

The structure of Saftsz-UCM151 (Comp. 18) also contains other interesting chemical elements:

Potassium	(K)	1 atom
Fluorine	(F)	2 atoms

The binding sites of Chlorine atom in the Saftsz-UCM151 (Comp. 18) (pdb code 6yd5). 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 Saftsz-UCM151 (Comp. 18), PDB code: 6yd5:

Chlorine binding site 1 out of 1 in the Saftsz-UCM151 (Comp. 18)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Saftsz-UCM151 (Comp. 18) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:45.4 occ:1.00 CL A:OM8404 0.0 45.4 1.0 C9 A:OM8404 1.8 40.5 1.0 C8 A:OM8404 2.7 37.5 1.0 C10 A:OM8404 2.8 39.3 1.0 H81 A:OM8404 2.8 45.0 1.0 H101 A:OM8404 2.9 47.1 1.0 HA3 A:GLY196 2.9 29.8 1.0 HA2 A:GLY193 3.1 28.5 1.0 HE2 A:MET226 3.3 38.6 1.0 HB3 A:MET226 3.7 39.0 1.0 O A:GLN192 3.8 25.2 1.0 HB A:THR309 3.8 32.8 1.0 CA A:GLY196 3.8 24.8 1.0 HG13 A:ILE311 4.0 36.5 1.0 C7 A:OM8404 4.0 34.1 1.0 CA A:GLY193 4.0 23.7 1.0 O A:GLY193 4.0 26.0 1.0 C11 A:OM8404 4.0 38.1 1.0 H A:GLY196 4.2 29.2 1.0 HD11 A:ILE311 4.2 39.2 1.0 CE A:MET226 4.2 32.2 1.0 HG12 A:ILE311 4.3 36.5 1.0 HA2 A:GLY196 4.3 29.8 1.0 HD13 A:ILE197 4.4 28.3 1.0 H A:ILE197 4.4 29.8 1.0 C A:GLY196 4.4 25.9 1.0 HE3 A:MET226 4.4 38.6 1.0 HG12 A:ILE197 4.5 28.4 1.0 C A:GLY193 4.5 24.0 1.0 N A:GLY196 4.5 24.3 1.0 HG2 A:MET226 4.5 37.2 1.0 CG1 A:ILE311 4.5 30.4 1.0 C12 A:OM8404 4.6 35.9 1.0 O A:GLY227 4.6 28.1 1.0 C A:GLN192 4.6 24.5 1.0 N A:ILE197 4.6 24.8 1.0 HG22 A:THR309 4.6 31.7 1.0 HA3 A:GLY193 4.6 28.5 1.0 CB A:MET226 4.6 32.5 1.0 HA A:MET226 4.6 39.0 1.0 CB A:THR309 4.7 27.4 1.0 N A:GLY193 4.7 23.3 1.0 H A:VAL310 4.7 27.4 1.0 HG21 A:THR309 4.7 31.7 1.0 HE1 A:MET226 4.7 38.6 1.0 H A:GLY227 4.8 38.3 1.0 H111 A:OM8404 4.8 45.7 1.0 O A:HOH601 4.8 29.6 1.0 O A:VAL310 4.9 24.5 1.0 CD1 A:ILE311 4.9 32.7 1.0 CG2 A:THR309 4.9 26.4 1.0 N A:GLY227 4.9 31.9 1.0 CG A:MET226 5.0 31.0 1.0 CA A:MET226 5.0 32.5 1.0 C A:MET226 5.0 35.2 1.0 HB A:ILE228 5.0 38.1 1.0

S.Huecas, L.Araujo-Bazan, F.M.Ruiz, L.B.Ruiz-Avila, R.F.Martinez, A.Escobar-Pena, M.Artola, H.Vazquez-Villa, M.Martin-Fontecha, C.Fernandez-Tornero, M.L.Lopez-Rodriguez, J.M.Andreu. Targeting the Ftsz Allosteric Binding Site with A Novel Fluorescence Polarization Screen, Cytological and Structural Approaches For Antibacterial Discovery. J.Med.Chem. V. 64 5730 2021.
ISSN: ISSN 0022-2623
PubMed: 33908781
DOI: 10.1021/ACS.JMEDCHEM.0C02207