Chlorine in PDB 8j51: Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase in Complex with Galactose

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

The structure of Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase in Complex with Galactose, PDB code: 8j51 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)	43.70 / 2.15
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	71.357, 72.371, 80.884, 101.82, 105.11, 103.67
R / Rfree (%)	15.2 / 22.2

The binding sites of Chlorine atom in the Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase in Complex with Galactose (pdb code 8j51). 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 in Complex with Galactose, PDB code: 8j51:
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 in Complex with Galactose


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 in Complex with Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl608 b:46.8 occ:1.00 HE3 A:TRP267 2.8 31.5 1.0 HZ A:PHE310 2.9 27.2 1.0 H A:TRP267 3.0 33.9 1.0 HE1 A:PHE310 3.0 26.5 1.0 HB3 A:TRP267 3.1 34.5 1.0 HA A:TRP266 3.1 32.2 1.0 N A:TRP267 3.4 33.6 1.0 CZ A:PHE310 3.6 27.2 1.0 CE1 A:PHE310 3.6 26.6 1.0 CE3 A:TRP267 3.7 31.4 1.0 HB2 A:TRP266 3.8 32.4 1.0 CA A:TRP266 3.8 31.7 1.0 C A:TRP266 3.9 33.4 1.0 CB A:TRP267 3.9 34.0 1.0 HA A:TRP267 4.0 35.5 1.0 CA A:TRP267 4.0 36.6 1.0 CB A:TRP266 4.3 33.4 1.0 CD2 A:TRP267 4.5 34.4 1.0 HZ3 A:TRP267 4.5 30.1 1.0 HB2 A:TRP267 4.6 34.8 1.0 HB3 A:TRP266 4.6 32.4 1.0 CZ3 A:TRP267 4.6 29.3 1.0 CG A:TRP267 4.6 35.8 1.0 O A:TRP266 4.8 34.9 1.0 CE2 A:PHE310 4.9 27.2 1.0 O A:HIS265 5.0 28.9 1.0 CD1 A:PHE310 5.0 26.2 1.0

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


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 in Complex with Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl610 b:48.7 occ:1.00 HE3 B:TRP267 2.8 32.5 1.0 HZ B:PHE310 2.9 28.6 1.0 HA B:TRP266 3.0 31.0 1.0 H B:TRP267 3.0 33.3 1.0 HE1 B:PHE310 3.0 28.1 1.0 HB3 B:TRP267 3.0 34.8 1.0 N B:TRP267 3.3 33.0 1.0 CZ B:PHE310 3.6 28.8 1.0 HB2 B:TRP266 3.6 29.6 1.0 CE1 B:PHE310 3.6 27.8 1.0 CA B:TRP266 3.7 30.8 1.0 CE3 B:TRP267 3.7 32.2 1.0 C B:TRP266 3.8 32.6 1.0 CB B:TRP267 3.9 34.9 1.0 HA B:TRP267 3.9 34.2 1.0 CA B:TRP267 3.9 34.8 1.0 CB B:TRP266 4.1 30.1 1.0 HB3 B:TRP266 4.4 29.6 1.0 CD2 B:TRP267 4.5 33.5 1.0 HB2 B:TRP267 4.5 34.7 1.0 HZ3 B:TRP267 4.6 32.4 1.0 CG B:TRP267 4.6 34.1 1.0 CZ3 B:TRP267 4.7 32.6 1.0 O B:TRP266 4.7 30.6 1.0 CE2 B:PHE310 4.9 27.9 1.0 O B:HIS265 4.9 33.5 1.0 N B:TRP266 4.9 30.4 1.0 CD1 B:PHE310 5.0 28.0 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