Chlorine in PDB 8j52: Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase Mutant D304A in Complex with Alpha-1,4-Galactobiose

All present enzymatic activity of Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase Mutant D304A in Complex with Alpha-1,4-Galactobiose:
3.2.1.22;

The structure of Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase Mutant D304A in Complex with Alpha-1,4-Galactobiose, PDB code: 8j52 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)	46.04 / 1.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	71.499, 72.543, 81.202, 101.92, 104.4, 103.71
R / Rfree (%)	13.6 / 19.2

The binding sites of Chlorine atom in the Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase Mutant D304A in Complex with Alpha-1,4-Galactobiose (pdb code 8j52). 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 Mutant D304A in Complex with Alpha-1,4-Galactobiose, PDB code: 8j52:
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 Mutant D304A in Complex with Alpha-1,4-Galactobiose


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 Mutant D304A in Complex with Alpha-1,4-Galactobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl608 b:28.7 occ:1.00 HE3 A:TRP267 2.8 17.4 1.0 H A:TRP267 3.1 17.6 1.0 HZ A:PHE310 3.1 18.5 1.0 HA A:TRP266 3.1 19.6 1.0 HB3 A:TRP267 3.1 18.6 1.0 HE1 A:PHE310 3.2 18.4 1.0 N A:TRP267 3.4 17.2 1.0 O A:HOH1000 3.6 32.4 1.0 CE3 A:TRP267 3.8 16.8 1.0 CZ A:PHE310 3.8 19.1 1.0 CE1 A:PHE310 3.8 18.7 1.0 CA A:TRP266 3.9 19.4 1.0 HA A:TRP267 3.9 18.9 1.0 C A:TRP266 3.9 20.5 1.0 HB2 A:TRP266 3.9 18.9 1.0 CB A:TRP267 3.9 18.4 1.0 CA A:TRP267 4.0 19.5 1.0 CB A:TRP266 4.4 19.8 1.0 HZ3 A:TRP267 4.6 17.7 1.0 CD2 A:TRP267 4.6 18.1 1.0 HB2 A:TRP267 4.6 18.5 1.0 CZ3 A:TRP267 4.7 17.8 1.0 CG A:TRP267 4.7 18.1 1.0 HB3 A:TRP266 4.8 19.2 1.0 O A:TRP266 4.9 20.8 1.0 O A:HIS265 4.9 21.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Flavihumibacter Petaseus GH31 Alpha-Galactosidase Mutant D304A in Complex with Alpha-1,4-Galactobiose


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 Mutant D304A in Complex with Alpha-1,4-Galactobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl609 b:26.6 occ:1.00 HE3 B:TRP267 2.9 19.1 1.0 HZ B:PHE310 3.1 18.1 1.0 HA B:TRP266 3.1 18.9 1.0 HB3 B:TRP267 3.2 19.3 1.0 HE1 B:PHE310 3.2 17.6 1.0 H B:TRP267 3.2 19.1 1.0 N B:TRP267 3.5 19.0 1.0 O B:HOH965 3.5 31.6 1.0 CZ B:PHE310 3.7 18.0 1.0 CE3 B:TRP267 3.8 19.2 1.0 CE1 B:PHE310 3.8 17.7 1.0 HB2 B:TRP266 3.9 17.2 1.0 CA B:TRP266 3.9 19.0 1.0 HA B:TRP267 3.9 19.1 1.0 C B:TRP266 4.0 19.9 1.0 CB B:TRP267 4.0 19.3 1.0 CA B:TRP267 4.1 19.2 1.0 CB B:TRP266 4.4 17.2 1.0 CD2 B:TRP267 4.6 19.0 1.0 HZ3 B:TRP267 4.6 18.5 1.0 HB2 B:TRP267 4.7 19.4 1.0 HB3 B:TRP266 4.7 17.4 1.0 CZ3 B:TRP267 4.7 18.4 1.0 CG B:TRP267 4.7 19.9 1.0 O B:TRP266 4.9 19.8 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