Chlorine in PDB 5hqb: A Glycoside Hydrolase Family 97 Enzyme (E480Q) in Complex with Panose From Pseudoalteromonas Sp. Strain K8

The structure of A Glycoside Hydrolase Family 97 Enzyme (E480Q) in Complex with Panose From Pseudoalteromonas Sp. Strain K8, PDB code: 5hqb 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)	39.29 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.167, 119.167, 181.832, 90.00, 90.00, 120.00
R / Rfree (%)	13.7 / 15.5

The structure of A Glycoside Hydrolase Family 97 Enzyme (E480Q) in Complex with Panose 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 (E480Q) in Complex with Panose From Pseudoalteromonas Sp. Strain K8 (pdb code 5hqb). 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 (E480Q) in Complex with Panose From Pseudoalteromonas Sp. Strain K8, PDB code: 5hqb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the A Glycoside Hydrolase Family 97 Enzyme (E480Q) in Complex with Panose 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 (E480Q) in Complex with Panose From Pseudoalteromonas Sp. Strain K8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:17.6 occ:1.00 O A:HOH1088 3.2 16.4 1.0 O A:HOH908 3.2 13.9 1.0 NE A:ARG171 3.3 16.2 1.0 N A:TYR172 3.5 12.8 1.0 CB A:ARG171 3.6 13.0 1.0 NH2 A:ARG171 3.7 23.8 1.0 CG A:GLU173 3.8 13.1 1.0 CB A:TYR172 3.8 11.1 1.0 CD2 A:TYR172 3.8 14.2 1.0 CA A:GLU456 3.9 12.0 1.0 CA A:GLY475 3.9 12.8 1.0 CZ A:ARG171 4.0 17.8 1.0 CA A:TYR172 4.1 13.7 1.0 OE2 A:GLU173 4.1 23.6 1.0 CD A:GLU173 4.2 22.4 1.0 CD A:PRO457 4.2 14.9 1.0 N A:GLU173 4.2 10.8 1.0 CD A:ARG171 4.2 20.4 1.0 CG A:TYR172 4.2 14.8 1.0 C A:TYR172 4.4 15.5 1.0 C A:GLY475 4.5 13.1 1.0 N A:GLY475 4.5 11.5 1.0 C A:ARG171 4.5 13.2 1.0 CB A:GLU456 4.5 13.6 1.0 CG A:ARG171 4.5 16.8 1.0 N A:ALA476 4.6 13.5 1.0 C A:GLU456 4.6 15.1 1.0 CG A:GLU456 4.6 14.6 1.0 O A:ASN170 4.6 14.5 1.0 CA A:ARG171 4.7 12.6 1.0 N A:GLU456 4.7 12.1 1.0 N A:PRO457 4.7 13.0 1.0 CB A:GLU173 4.7 13.0 1.0 O A:HOH1621 4.8 24.4 1.0 CE2 A:TYR172 4.9 13.7 1.0 OE1 A:GLU173 5.0 21.5 1.0

Chlorine binding site 2 out of 2 in the A Glycoside Hydrolase Family 97 Enzyme (E480Q) in Complex with Panose 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 (E480Q) in Complex with Panose From Pseudoalteromonas Sp. Strain K8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:16.9 occ:1.00 O A:HOH972 3.1 18.2 1.0 O A:HOH1112 3.2 16.8 1.0 O A:HOH1306 3.3 16.2 1.0 ND2 A:ASN482 3.4 16.1 1.0 ND2 A:ASN489 3.5 12.4 1.0 CB A:ASN489 3.5 12.4 1.0 CZ A:PHE509 3.8 17.3 1.0 CD1 A:ILE494 3.9 14.9 1.0 CG A:ASN489 4.0 14.6 1.0 CG1 A:ILE494 4.3 14.5 1.0 CD2 A:HIS493 4.3 12.2 1.0 CG A:ASN482 4.3 16.8 1.0 OD1 A:ASN482 4.3 15.3 1.0 CB A:HIS493 4.4 10.7 1.0 CG2 A:THR530 4.5 15.1 1.0 CE1 A:PHE509 4.5 15.5 1.0 CE2 A:PHE509 4.7 15.4 1.0 O A:PRO490 4.7 13.2 1.0 CG A:HIS493 4.7 10.5 1.0 CA A:ASN489 4.8 12.1 1.0 O A:ASN489 4.9 15.7 1.0 C A:ASN489 5.0 14.7 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