Chlorine in PDB 5aee: 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: 5aee 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)	53.81 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.960, 107.620, 103.300, 90.00, 107.85, 90.00
R / Rfree (%)	16.3 / 20.1

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

Calcium

(Ca)

3 atoms

The binding sites of Chlorine atom in the A Bacterial Protein Structure in Glycoside Hydrolase Family 31 (pdb code 5aee). 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 A Bacterial Protein Structure in Glycoside Hydrolase Family 31, PDB code: 5aee:

Chlorine binding site 1 out of 1 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 B:Cl1681 b:30.3 occ:1.00 O B:HOH2055 3.0 25.5 1.0 O B:HOH2054 3.1 33.3 1.0 CE2 B:PHE181 3.4 27.4 1.0 N B:ASN472 3.4 23.0 1.0 CB B:ASN472 3.5 23.0 1.0 NH1 B:ARG455 3.5 30.6 1.0 CG B:ASN472 3.6 26.8 1.0 CD2 B:PHE181 3.7 26.3 1.0 CB B:GLN153 3.7 24.1 1.0 ND2 B:ASN472 3.7 24.4 1.0 CD B:ARG455 4.0 23.7 1.0 CA B:ASN472 4.0 24.5 1.0 N B:GLN153 4.1 24.1 1.0 O B:HOH2058 4.2 32.8 1.0 OD1 B:ASN472 4.2 24.2 1.0 OE1 B:GLU152 4.3 33.0 1.0 O B:ASN472 4.3 24.3 1.0 CZ B:ARG455 4.3 28.7 1.0 OE1 B:GLN153 4.4 23.2 1.0 C B:GLY471 4.4 22.8 1.0 CA B:GLY471 4.5 22.4 1.0 CA B:GLN153 4.5 21.9 1.0 NE B:ARG455 4.5 25.1 1.0 CZ B:PHE181 4.6 24.9 1.0 C B:ASN472 4.7 23.2 1.0 CG B:GLN153 4.7 23.2 1.0 CD B:GLN153 4.8 23.8 1.0 O B:HOH2203 4.9 28.0 1.0 CG B:ARG455 4.9 23.7 1.0 CA B:CA1678 5.0 23.8 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