Chlorine in PDB 8j50: Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase

All present enzymatic activity of Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase:
3.2.1.22;

The structure of Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase, PDB code: 8j50 was solved by M.Ikegaya, T.Miyazaki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.42 / 1.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	71.662, 72.364, 81.074, 101.74, 104.96, 103.66
R / Rfree (%)	13.7 / 18.1

The binding sites of Chlorine atom in the Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase (pdb code 8j50). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase, PDB code: 8j50:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:33.4 occ:1.00 HE3 A:TRP267 2.8 23.4 1.0 H A:TRP267 3.0 22.7 1.0 HE1 A:PHE310 3.0 22.4 1.0 HZ A:PHE310 3.1 23.6 1.0 HA A:TRP266 3.2 23.2 1.0 HB3 A:TRP267 3.2 22.4 1.0 N A:TRP267 3.3 22.3 1.0 CE1 A:PHE310 3.7 22.3 1.0 CZ A:PHE310 3.7 23.9 1.0 CE3 A:TRP267 3.7 23.3 1.0 HB2 A:TRP266 3.8 23.7 1.0 C A:TRP266 3.9 24.3 1.0 CA A:TRP266 3.9 22.9 1.0 HA A:TRP267 3.9 23.7 1.0 CB A:TRP267 3.9 22.1 1.0 CA A:TRP267 4.0 24.2 1.0 CB A:TRP266 4.4 24.4 1.0 CD2 A:TRP267 4.5 22.9 1.0 HZ3 A:TRP267 4.6 23.8 1.0 HB2 A:TRP267 4.7 22.4 1.0 CZ3 A:TRP267 4.7 23.4 1.0 HB3 A:TRP266 4.7 23.9 1.0 CG A:TRP267 4.7 22.2 1.0 O A:TRP266 4.8 24.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl610 b:31.6 occ:1.00 HE3 B:TRP267 2.9 25.0 1.0 HZ B:PHE310 3.0 23.3 1.0 HB3 B:TRP267 3.1 25.6 1.0 HA B:TRP266 3.1 23.8 1.0 H B:TRP267 3.1 24.0 1.0 HE1 B:PHE310 3.1 23.3 1.0 N B:TRP267 3.4 23.5 1.0 CZ B:PHE310 3.7 23.5 1.0 CE1 B:PHE310 3.7 23.1 1.0 HB2 B:TRP266 3.7 24.1 1.0 CA B:TRP266 3.8 23.2 1.0 CE3 B:TRP267 3.8 24.7 1.0 CB B:TRP267 3.9 25.8 1.0 C B:TRP266 3.9 24.2 1.0 HA B:TRP267 3.9 25.2 1.0 CA B:TRP267 4.0 25.5 1.0 CB B:TRP266 4.3 24.6 1.0 HB2 B:TRP267 4.6 25.5 1.0 CD2 B:TRP267 4.6 24.2 1.0 HB3 B:TRP266 4.6 24.2 1.0 CG B:TRP267 4.7 24.4 1.0 HZ3 B:TRP267 4.7 24.6 1.0 CZ3 B:TRP267 4.8 25.5 1.0 O B:TRP266 4.9 24.3 1.0 O B:HIS265 5.0 28.4 1.0

M.Ikegaya, E.Y.Park, T.Miyazaki. Structure-Function Analysis of Bacterial GH31 Alpha-Galactosidases Specific For Alpha-(1→4)-Galactobiose. Febs J. 2023.
ISSN: ISSN 1742-464X
PubMed: 37438884
DOI: 10.1111/FEBS.16904