Chlorine in PDB 5aeg: A Bacterial Protein Structure in Glycoside Hydrolase Family 31.

All present enzymatic activity of A Bacterial Protein Structure in Glycoside Hydrolase Family 31.:
3.2.1.20;

The structure of A Bacterial Protein Structure in Glycoside Hydrolase Family 31., PDB code: 5aeg was solved by Y.Jin, G.Speciale, G.J.Davies, S.J.Williams, E.D.Goddard-Borger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	105.45 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.665, 112.643, 111.881, 90.00, 109.52, 90.00
R / Rfree (%)	16 / 19.3

The structure of A Bacterial Protein Structure in Glycoside Hydrolase Family 31. also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Calcium	(Ca)	3 atoms

The binding sites of Chlorine atom in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31. (pdb code 5aeg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31., PDB code: 5aeg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Bacterial Protein Structure in Glycoside Hydrolase Family 31. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1681 b:28.0 occ:1.00 O A:HOH2413 3.0 31.0 1.0 N A:LYS604 3.2 21.1 1.0 N A:TYR605 3.2 20.6 1.0 O A:HOH2191 3.4 37.3 1.0 CA A:LEU603 3.8 21.2 1.0 CD2 A:LEU603 3.9 25.2 1.0 CB A:TYR605 3.9 20.6 1.0 C A:LEU603 4.0 19.8 1.0 CA A:TYR605 4.0 20.6 1.0 CB A:LEU603 4.0 21.8 1.0 CA A:LYS604 4.1 23.5 1.0 C A:LYS604 4.1 20.9 1.0 CD2 A:TYR605 4.1 23.1 1.0 C A:TYR605 4.4 20.9 1.0 O A:HOH2418 4.4 28.8 1.0 CB A:LYS604 4.4 23.7 1.0 CG A:TYR605 4.4 18.9 1.0 N A:GLN606 4.5 17.8 1.0 CG A:LEU603 4.6 21.3 1.0 CG A:GLN606 4.6 19.3 1.0 O A:HOH2452 4.6 39.4 1.0 O A:HOH2428 4.7 37.8 1.0 OE1 A:GLN606 4.9 19.9 1.0

Chlorine binding site 2 out of 2 in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Bacterial Protein Structure in Glycoside Hydrolase Family 31. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1679 b:39.3 occ:1.00 O B:HOH2244 3.1 40.6 1.0 N B:LYS604 3.2 28.8 1.0 O B:HOH2127 3.2 46.7 1.0 N B:TYR605 3.2 28.3 1.0 CA B:LEU603 3.8 31.2 1.0 CD2 B:LEU603 3.9 28.6 1.0 CB B:TYR605 3.9 31.3 1.0 CA B:TYR605 4.0 29.7 1.0 C B:LEU603 4.0 29.0 1.0 CB B:LEU603 4.0 30.8 1.0 CA B:LYS604 4.1 32.1 1.0 C B:LYS604 4.1 29.4 1.0 CD2 B:TYR605 4.2 34.8 1.0 C B:TYR605 4.4 32.2 1.0 CB B:LYS604 4.4 33.8 1.0 CG B:TYR605 4.4 31.2 1.0 N B:GLN606 4.4 34.5 1.0 CG B:GLN606 4.5 32.9 1.0 CG B:LEU603 4.6 31.7 1.0 O B:HOH2246 4.7 49.0 1.0 O B:HOH2253 4.7 45.7 1.0 O B:HOH2256 4.7 50.6 1.0 OE1 B:GLN606 4.8 35.8 1.0

G.Speciale, Y.Jin, G.J.Davies, S.J.Williams, E.D.Goddard-Borger. Yihq Is A Sulfoquinovosidase That Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids. Nat.Chem.Biol. V. 12 215 2016.
ISSN: ISSN 1552-4450
PubMed: 26878550
DOI: 10.1038/NCHEMBIO.2023