Zinc in PDB 7pol: Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis in Complex with Flumequine

The structure of Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis in Complex with Flumequine, PDB code: 7pol was solved by U.Eckhard, T.Guevara, F.X.Gomis-Ruth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.15 / 1.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.02, 84.02, 267.27, 90, 90, 90
R / Rfree (%)	20.1 / 21.5

The structure of Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis in Complex with Flumequine also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Zinc atom in the Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis in Complex with Flumequine (pdb code 7pol). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis in Complex with Flumequine, PDB code: 7pol:

Zinc binding site 1 out of 1 in the Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis in Complex with Flumequine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Profragilysin-3 (Probft-3) From Bacteroides Fragilis in Complex with Flumequine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:53.8 occ:0.34 NE2 A:HIS352 2.3 41.2 1.0 NE2 A:HIS348 2.6 33.5 1.0 O A:HOH619 2.6 50.4 1.0 CD2 A:HIS352 3.0 39.8 1.0 CE1 A:HIS352 3.4 41.5 1.0 CD2 A:HIS348 3.4 33.0 1.0 CE1 A:HIS348 3.6 33.8 1.0 CB A:TYR191 3.7 59.4 1.0 CG A:TYR191 4.0 56.9 1.0 CG A:HIS352 4.3 38.2 1.0 CD1 A:TYR191 4.4 56.5 1.0 CD2 A:TYR191 4.5 56.2 1.0 ND1 A:HIS352 4.5 40.6 1.0 O A:HOH591 4.6 54.4 1.0 OE1 A:GLU349 4.6 36.6 1.0 CG A:HIS348 4.6 32.0 1.0 O A:HOH722 4.6 47.5 1.0 ND1 A:HIS348 4.7 33.7 1.0 O A:ILE192 4.9 74.3 1.0

A.Jimenez-Alesanco, U.Eckhard, M.Asencio Del Rio, S.Vega, T.Guevara, A.Velazquez-Campoy, F.X.Gomis-Ruth, O.Abian. Repositioning Small Molecule Drugs As Allosteric Inhibitors of the Bft-3 Toxin From Enterotoxigenic Bacteroides Fragilis. Protein Sci. V. 31 E4427 2022.
ISSN: ESSN 1469-896X
PubMed: 36173175
DOI: 10.1002/PRO.4427