Chlorine in PDB 8hls: Crystal Structure of the Sialidase AM1547 From A.Muciniphila

The structure of Crystal Structure of the Sialidase AM1547 From A.Muciniphila, PDB code: 8hls was solved by B.Rui, T.Xinyue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.64 / 2.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.16, 56.771, 145.932, 90, 94.01, 90
R / Rfree (%)	18 / 22.3

The structure of Crystal Structure of the Sialidase AM1547 From A.Muciniphila also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Sialidase AM1547 From A.Muciniphila (pdb code 8hls). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Sialidase AM1547 From A.Muciniphila, PDB code: 8hls:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Sialidase AM1547 From A.Muciniphila


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 the Sialidase AM1547 From A.Muciniphila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:32.3 occ:1.00 NH2 A:ARG106 3.2 30.1 1.0 O A:HOH849 3.3 27.8 1.0 NE2 A:GLN108 3.4 29.4 1.0 N A:PHE113 3.5 25.6 1.0 CG A:GLN108 3.5 34.0 1.0 N A:TYR85 3.5 30.7 1.0 N A:GLY86 3.5 38.9 1.0 CB A:TYR85 3.7 32.9 1.0 CA A:GLY112 3.8 29.2 1.0 CE2 A:PHE115 3.8 28.3 1.0 CD A:GLN108 3.9 33.1 1.0 CA A:TYR85 4.0 35.4 1.0 C A:GLY112 4.2 34.8 1.0 O A:PHE113 4.2 28.3 1.0 C A:TYR85 4.2 34.0 1.0 CD2 A:PHE113 4.3 31.7 1.0 CD2 A:TYR85 4.3 33.0 1.0 CZ A:ARG106 4.3 31.3 1.0 O A:PRO83 4.4 31.5 1.0 CD2 A:PHE115 4.4 27.6 1.0 CA A:PHE113 4.4 32.9 1.0 CA A:GLY86 4.4 33.4 1.0 C A:ASN84 4.5 29.7 1.0 CG A:TYR85 4.5 39.2 1.0 NE A:ARG106 4.6 32.2 1.0 CB A:PHE113 4.6 30.7 1.0 CA A:ASN84 4.7 33.8 1.0 C A:PHE113 4.7 29.9 1.0 CG A:PHE113 4.8 36.8 1.0 CB A:GLN108 4.9 26.9 1.0 CZ A:PHE115 4.9 27.5 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Sialidase AM1547 From A.Muciniphila


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 the Sialidase AM1547 From A.Muciniphila within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:50.9 occ:1.00 N A:GLY410 3.1 40.1 1.0 O B:HOH874 3.4 38.5 1.0 CD B:LYS408 3.5 49.2 1.0 OG1 B:THR292 3.6 36.9 1.0 CA A:LYS409 3.8 33.5 1.0 C A:LYS409 4.0 36.4 1.0 CA A:GLY410 4.0 32.2 1.0 CD A:LYS409 4.0 29.5 1.0 CG2 A:THR339 4.2 32.5 1.0 CB B:THR292 4.3 34.8 1.0 CB A:LYS409 4.3 27.5 1.0 OG B:SER449 4.4 35.0 1.0 CE B:LYS408 4.4 49.5 1.0 NZ B:LYS408 4.5 52.0 1.0 CG B:LYS408 4.6 34.0 1.0 CG2 B:THR292 4.7 31.4 1.0 CG A:LYS409 4.8 27.6 1.0 O B:HOH846 4.8 38.0 1.0 O A:GLY410 4.8 37.1 1.0 O A:LYS408 4.9 27.1 1.0 C A:GLY410 4.9 35.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Sialidase AM1547 From A.Muciniphila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Sialidase AM1547 From A.Muciniphila within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:36.4 occ:1.00 NH2 B:ARG106 3.2 36.4 1.0 NE2 B:GLN108 3.3 40.5 1.0 N B:PHE113 3.4 37.8 1.0 CG B:GLN108 3.4 31.8 1.0 N B:TYR85 3.7 39.9 1.0 N B:GLY86 3.7 44.6 1.0 CA B:GLY112 3.8 39.8 1.0 CE2 B:PHE115 3.8 43.6 1.0 CD B:GLN108 3.9 36.9 1.0 CB B:TYR85 3.9 42.1 1.0 CD2 B:PHE113 4.0 48.9 1.0 O B:PHE113 4.1 35.3 1.0 C B:GLY112 4.1 37.3 1.0 CA B:TYR85 4.2 44.1 1.0 CZ B:ARG106 4.2 42.7 1.0 CD2 B:PHE115 4.3 41.2 1.0 CA B:PHE113 4.3 36.6 1.0 CD2 B:TYR85 4.4 53.0 1.0 O B:PRO83 4.4 40.8 1.0 CB B:PHE113 4.5 41.8 1.0 C B:TYR85 4.5 43.1 1.0 NE B:ARG106 4.5 40.1 1.0 C B:PHE113 4.6 40.3 1.0 CA B:GLY86 4.6 41.1 1.0 CG B:TYR85 4.7 47.5 1.0 CG B:PHE113 4.7 47.1 1.0 C B:ASN84 4.7 37.8 1.0 CA B:ASN84 4.8 39.4 1.0 CB B:GLN108 4.8 40.0 1.0 CE2 B:PHE113 4.9 41.1 1.0 CZ B:PHE115 5.0 39.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Sialidase AM1547 From A.Muciniphila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Sialidase AM1547 From A.Muciniphila within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:51.4 occ:1.00 N B:GLY410 3.1 34.0 1.0 O A:HOH889 3.6 34.3 1.0 OG1 A:THR292 3.7 35.0 1.0 CD B:LYS409 3.7 29.0 1.0 CA B:LYS409 3.9 36.1 1.0 CA B:GLY410 4.0 32.9 1.0 C B:LYS409 4.0 29.3 1.0 CG2 B:THR339 4.2 35.2 1.0 OG A:SER449 4.3 31.9 1.0 CB A:THR292 4.3 38.9 1.0 CB B:LYS409 4.4 22.8 1.0 CD A:LYS408 4.5 49.4 1.0 CG A:LYS408 4.5 43.3 1.0 CG2 A:THR292 4.6 33.7 1.0 CE B:LYS409 4.7 36.0 1.0 CG B:LYS409 4.7 31.5 1.0 CE A:LYS408 4.7 52.0 1.0 O B:LYS408 4.9 27.8 1.0 O B:GLY410 4.9 36.7 1.0 ND2 A:ASN446 4.9 22.0 1.0 C B:GLY410 5.0 36.8 1.0

T.Xinyue, B.Rui. Structural Analysis of A Novel Sialidase From Akkermansia Muciniphila Reveals A Distinct Catalytic Motif in GH33 Family To Be Published.