Chlorine in PDB 2je8: Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron

All present enzymatic activity of Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron:
3.2.1.25;

The structure of Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron, PDB code: 2je8 was solved by L.E.Tailford, V.A.Money, N.L.Smith, C.Dumon, G.J.Davies, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.56 / 1.7
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	91.463, 115.997, 99.146, 90.00, 113.42, 90.00
R / Rfree (%)	15.5 / 18.8

The binding sites of Chlorine atom in the Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron (pdb code 2je8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron, PDB code: 2je8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1869 b:13.6 occ:1.00 N A:HIS284 3.2 10.9 1.0 O A:HOH2376 3.2 20.7 1.0 CA A:ASN283 3.7 10.8 1.0 C A:ASN283 3.9 11.5 1.0 O A:HIS284 4.1 14.6 1.0 CA A:HIS284 4.2 12.8 1.0 CD2 A:HIS284 4.2 20.1 1.0 CB A:HIS284 4.2 12.6 1.0 O A:ILE282 4.3 11.4 1.0 CB A:ASN283 4.4 10.1 1.0 CG A:HIS284 4.5 17.1 1.0 C A:HIS284 4.6 14.6 1.0 OD1 A:ASN283 4.7 13.1 1.0 N A:ASN283 4.8 10.3 1.0 CG A:ASN283 4.9 12.7 1.0 C A:ILE282 4.9 11.1 1.0

Chlorine binding site 2 out of 4 in the Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1870 b:20.0 occ:1.00 O A:HOH2145 3.0 23.7 1.0 O A:HOH2298 3.1 18.6 1.0 O A:HOH2202 3.1 20.6 1.0 O A:ILE107 3.3 11.2 1.0 N A:ILE107 3.3 11.9 1.0 CB A:LYS142 3.4 12.2 1.0 N A:LYS142 3.5 11.8 1.0 CB A:PRO140 3.8 13.3 1.0 N A:VAL141 3.9 10.2 1.0 CA A:GLY106 4.0 12.1 1.0 CA A:PRO140 4.0 13.1 1.0 C A:ILE107 4.1 11.9 1.0 CA A:LYS142 4.1 11.8 1.0 C A:GLY106 4.2 12.0 1.0 C A:PRO140 4.2 11.7 1.0 CA A:ILE107 4.3 10.7 1.0 CG1 A:ILE249 4.4 19.6 1.0 O A:HOH2061 4.5 34.6 1.0 CD1 A:ILE249 4.5 22.2 1.0 C A:VAL141 4.6 9.2 1.0 CG A:LYS142 4.8 12.7 1.0 CA A:VAL141 4.9 9.9 1.0 O A:ASP105 4.9 12.4 1.0 CB A:ILE107 4.9 11.0 1.0 CD A:LYS142 4.9 13.1 1.0 OH A:TYR218 4.9 15.1 1.0

Chlorine binding site 3 out of 4 in the Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1871 b:26.0 occ:1.00 O A:HIS184 2.8 10.5 1.0 OD1 A:ASN173 2.8 11.7 1.0 N A:TYR174 2.9 11.2 1.0 C A:HIS184 3.5 8.8 1.0 CD1 A:TYR167 3.6 17.6 1.0 CA A:ASN173 3.6 11.5 1.0 CE1 A:TYR167 3.6 20.0 1.0 CD2 A:TYR174 3.7 10.6 1.0 C A:ASN173 3.7 12.4 1.0 CB A:HIS184 3.8 8.6 1.0 CE2 A:PHE188 3.8 11.4 1.0 CB A:TYR174 3.8 10.8 1.0 CG A:ASN173 3.9 12.7 1.0 CA A:TYR174 3.9 10.4 1.0 CA A:HIS184 3.9 9.3 1.0 N A:HIS184 3.9 9.9 1.0 CZ A:PHE188 4.1 11.4 1.0 CG A:TYR174 4.2 7.8 1.0 O A:PHE172 4.3 11.7 1.0 O A:TYR174 4.3 10.8 1.0 CB A:ASN173 4.3 12.6 1.0 CG2 A:VAL187 4.4 10.4 1.0 N A:LEU185 4.6 9.3 1.0 C A:TYR174 4.6 10.9 1.0 N A:ASN173 4.8 11.7 1.0 CD2 A:PHE188 4.8 10.2 1.0 CE2 A:TYR174 4.8 8.9 1.0 CG A:TYR167 4.9 14.5 1.0 O A:ASN173 4.9 11.8 1.0 C A:PHE172 4.9 11.7 1.0 CZ A:TYR167 4.9 21.9 1.0 CG A:HIS184 5.0 10.7 1.0 ND2 A:ASN170 5.0 12.0 1.0

Chlorine binding site 4 out of 4 in the Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of A Beta-Mannosidase From Bacteroides Thetaiotaomicron within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1876 b:19.0 occ:1.00 O B:HOH2147 3.0 21.8 1.0 O B:HOH2211 3.0 21.6 1.0 O B:HOH2309 3.2 17.7 1.0 N B:ILE107 3.3 13.2 1.0 O B:ILE107 3.3 11.8 1.0 CB B:LYS142 3.5 12.8 1.0 N B:LYS142 3.6 11.4 1.0 CB B:PRO140 3.8 14.5 1.0 CA B:GLY106 3.8 13.0 1.0 N B:VAL141 3.9 11.6 1.0 CA B:PRO140 4.0 12.7 1.0 C B:ILE107 4.1 12.9 1.0 C B:GLY106 4.1 12.6 1.0 CA B:LYS142 4.2 12.8 1.0 C B:PRO140 4.2 13.1 1.0 CA B:ILE107 4.3 12.8 1.0 CD1 B:ILE249 4.4 25.1 1.0 CG1 B:ILE249 4.4 19.0 1.0 C B:VAL141 4.7 10.5 1.0 CD B:LYS142 4.7 17.5 1.0 CG B:LYS142 4.8 15.2 1.0 CA B:VAL141 4.9 10.8 1.0 O B:ASP105 4.9 13.1 1.0 CB B:ILE107 4.9 12.0 1.0

L.E.Tailford, V.A.Money, N.L.Smith, C.Dumon, G.J.Davies, H.J.Gilbert. Mannose Foraging By Bacteroides Thetaiotaomicron: Structure and Specificity of the Beta-Mannosidase, BTMAN2A. J.Biol.Chem. V. 282 11291 2007.
ISSN: ISSN 0021-9258
PubMed: 17287210
DOI: 10.1074/JBC.M610964200