Chlorine in PDB 5hq4: A Glycoside Hydrolase Family 97 Enzyme From Pseudoalteromonas Sp. Strain K8

The structure of A Glycoside Hydrolase Family 97 Enzyme From Pseudoalteromonas Sp. Strain K8, PDB code: 5hq4 was solved by J.Li, C.He, Y.Xiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.49 / 1.93
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.545, 119.545, 182.757, 90.00, 90.00, 120.00
R / Rfree (%)	14.4 / 16

The structure of A Glycoside Hydrolase Family 97 Enzyme From Pseudoalteromonas Sp. Strain K8 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the A Glycoside Hydrolase Family 97 Enzyme From Pseudoalteromonas Sp. Strain K8 (pdb code 5hq4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the A Glycoside Hydrolase Family 97 Enzyme From Pseudoalteromonas Sp. Strain K8, PDB code: 5hq4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the A Glycoside Hydrolase Family 97 Enzyme From Pseudoalteromonas Sp. Strain K8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Glycoside Hydrolase Family 97 Enzyme From Pseudoalteromonas Sp. Strain K8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl707 b:12.6 occ:1.00 O A:HOH1059 3.1 11.7 1.0 O A:HOH902 3.2 10.5 1.0 NE A:ARG171 3.4 16.3 1.0 N A:TYR172 3.5 8.5 1.0 CB A:ARG171 3.6 12.2 1.0 CG A:GLU173 3.7 9.2 1.0 CA A:GLU456 3.8 9.0 1.0 CB A:TYR172 3.8 8.4 1.0 CD1 A:TYR172 3.8 11.4 1.0 CA A:GLY475 4.0 8.5 1.0 CD A:GLU173 4.0 14.3 1.0 CD A:PRO457 4.1 13.4 1.0 CA A:TYR172 4.1 10.9 1.0 CD A:ARG171 4.1 13.2 1.0 N A:GLU173 4.2 9.6 1.0 NH2 A:ARG171 4.3 34.0 1.0 CG A:TYR172 4.3 11.7 1.0 OE1 A:GLU173 4.3 17.7 1.0 CZ A:ARG171 4.3 17.8 1.0 CB A:GLU456 4.5 11.3 1.0 C A:TYR172 4.5 10.9 1.0 N A:GLY475 4.5 11.3 1.0 C A:GLU456 4.5 11.4 1.0 CG A:GLU456 4.5 13.3 1.0 CG A:ARG171 4.5 15.5 1.0 C A:GLY475 4.5 12.1 1.0 C A:ARG171 4.5 8.4 1.0 N A:GLU456 4.6 9.1 1.0 OE2 A:GLU173 4.6 20.6 1.0 N A:PRO457 4.6 10.5 1.0 N A:ALA476 4.6 8.1 1.0 CB A:GLU173 4.6 11.3 1.0 CA A:ARG171 4.7 12.1 1.0 O A:ASN170 4.7 10.6 1.0 O A:HOH1621 4.8 15.5 1.0 CE1 A:TYR172 4.9 12.5 1.0 CA A:GLU173 5.0 9.8 1.0

Chlorine binding site 2 out of 2 in the A Glycoside Hydrolase Family 97 Enzyme From Pseudoalteromonas Sp. Strain K8


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A Glycoside Hydrolase Family 97 Enzyme From Pseudoalteromonas Sp. Strain K8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl708 b:15.7 occ:1.00 O A:HOH963 3.2 14.6 1.0 O A:HOH1065 3.3 12.0 1.0 ND2 A:ASN482 3.4 10.8 1.0 O A:HOH1266 3.4 13.7 1.0 ND2 A:ASN489 3.5 8.8 1.0 CB A:ASN489 3.5 10.1 1.0 CZ A:PHE509 3.7 14.3 1.0 CD1 A:ILE494 3.9 11.3 1.0 CG A:ASN489 4.1 8.9 1.0 OD1 A:ASN482 4.3 10.6 1.0 CG A:ASN482 4.3 11.2 1.0 CD2 A:HIS493 4.3 10.8 1.0 CG1 A:ILE494 4.3 13.1 1.0 CB A:HIS493 4.3 8.7 1.0 CE1 A:PHE509 4.5 13.3 1.0 CG2 A:THR530 4.6 10.6 1.0 CE2 A:PHE509 4.6 11.5 1.0 CG A:HIS493 4.7 10.5 1.0 O A:PRO490 4.7 11.0 1.0 CA A:ASN489 4.8 10.1 1.0 O A:ASN489 4.9 12.6 1.0 C A:ASN489 5.0 12.5 1.0

C.He, J.Li, W.Li, Y.Xue, Z.Fang, W.Fang, X.Zhang, X.Wang, Y.Xiao. Structures of PSPAG97A Alpha-Glucoside Hydrolase Reveal A Novel Mechanism For Chloride Induced Activation. J. Struct. Biol. V. 196 426 2016.
ISSN: ESSN 1095-8657
PubMed: 27645700
DOI: 10.1016/J.JSB.2016.09.009