Chlorine in PDB 7jw4: Crystal Structure of PDGH110B in Complex with D-Galactose

The structure of Crystal Structure of PDGH110B in Complex with D-Galactose, PDB code: 7jw4 was solved by A.G.Hettle, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.98 / 2.34
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	169.786, 128.093, 100.014, 90.00, 123.16, 90.00
R / Rfree (%)	18.5 / 23.1

The structure of Crystal Structure of PDGH110B in Complex with D-Galactose also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of PDGH110B in Complex with D-Galactose (pdb code 7jw4). 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 PDGH110B in Complex with D-Galactose, PDB code: 7jw4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of PDGH110B in Complex with D-Galactose


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 PDGH110B in Complex with D-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:61.7 occ:1.00 ND1 A:HIS390 4.1 38.3 1.0 CG A:HIS390 4.3 36.7 1.0 CE1 A:TYR397 4.4 43.5 1.0 OG A:SER393 4.4 32.1 1.0 CB A:HIS390 4.5 35.6 1.0 CE1 A:HIS390 4.6 34.6 1.0 OH A:TYR397 4.6 48.4 1.0 CD2 A:HIS390 4.8 35.1 1.0 CD1 A:ILE395 4.8 31.4 1.0 CZ A:TYR397 4.8 39.1 1.0 NE2 A:HIS390 4.9 39.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of PDGH110B in Complex with D-Galactose


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 PDGH110B in Complex with D-Galactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl703 b:40.9 occ:1.00 O B:HOH1186 3.1 41.0 1.0 N B:LYS605 3.4 36.7 1.0 O B:HOH900 3.7 48.1 1.0 CA B:GLY604 3.8 34.7 1.0 C B:GLY604 4.1 36.1 1.0 CB B:LYS605 4.1 36.3 1.0 CA B:LYS605 4.3 35.5 1.0 O B:GLU603 4.6 47.3 1.0 O B:HOH897 4.9 44.4 1.0 N B:GLY604 5.0 35.9 1.0

B.E.Mcguire, A.Hettle, C.Vickers, D.T.King, D.J.Vocadlo, A.B.Boraston. The Structure of A Family 110 Glycoside Hydrolase Provides Insight Into the Hydrolysis of Alpha-(1,3)-Galactosidic Linkages in Lambda-Carrageenan and Blood Group Antigens. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33127644
DOI: 10.1074/JBC.RA120.015776