Chlorine in PDB 6mgk: Crystal Structure of the Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan

The structure of Crystal Structure of the Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan, PDB code: 6mgk was solved by P.J.Stogios, T.Skarina, B.Nocek, G.Arnal, H.Brumer, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.29 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	239.263, 212.471, 91.647, 90.00, 105.50, 90.00
R / Rfree (%)	15.8 / 18.1

The binding sites of Chlorine atom in the Crystal Structure of the Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan (pdb code 6mgk). 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 Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan, PDB code: 6mgk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan


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 Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl818 b:70.6 occ:1.00 OG A:SER464 3.8 33.6 1.0 O A:TRP465 3.8 24.2 1.0 C A:TRP465 3.9 23.1 1.0 CA A:TRP465 4.3 21.3 1.0 N A:ALA466 4.3 23.1 1.0 N A:TRP465 4.4 22.6 1.0 CE2 A:PHE459 4.4 24.0 1.0 CZ A:PHE459 4.5 21.9 1.0 O A:HOH1085 4.7 49.3 1.0 C A:SER464 4.7 23.1 1.0 O A:HOH950 4.7 27.4 1.0 CA A:ALA466 4.7 21.3 1.0 CD2 A:HIS357 4.7 34.6 1.0 O A:HOH1293 4.9 39.9 1.0 O A:SER464 4.9 25.3 1.0 CB A:SER464 4.9 29.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan


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 Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl823 b:80.6 occ:1.00 O A:HOH1573 3.1 66.3 1.0 O A:HOH1269 3.4 41.7 1.0 CA B:SER194 4.1 25.0 1.0 CB B:SER194 4.2 25.6 1.0 N B:SER194 4.2 20.4 1.0 OG1 A:THR273 4.3 38.0 1.0 CB A:THR273 4.3 35.2 1.0 ND2 A:ASN271 4.5 36.0 1.0 CD B:LYS193 4.5 33.6 1.0 CG2 A:THR273 4.5 39.2 1.0 CG B:LYS193 4.5 29.2 1.0 CE B:LYS193 4.5 36.4 1.0 C B:LYS193 4.6 22.3 1.0 OD1 A:ASN271 4.7 29.9 1.0 CB B:LYS193 4.8 25.1 1.0 O B:HOH1287 4.8 33.4 1.0 O B:LYS193 4.8 26.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan


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 Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl817 b:70.1 occ:1.00 O C:HOH1052 3.0 60.6 1.0 O C:HOH1368 3.2 25.5 1.0 O C:HOH1648 3.2 55.8 1.0 O C:HOH1041 3.5 45.6 1.0 NH1 C:ARG729 3.7 28.0 1.0 O B:HOH1629 3.9 39.7 1.0 CD1 C:LEU452 4.0 24.9 1.0 O C:HOH1534 4.1 12.3 0.5 CG C:LEU452 4.3 23.6 1.0 CG C:HIS436 4.4 25.8 1.0 O C:GLU450 4.4 30.9 1.0 CB C:HIS436 4.5 22.6 1.0 CD2 C:HIS436 4.5 25.7 1.0 NH2 C:ARG729 4.5 29.0 1.0 O C:HOH1533 4.6 42.9 1.0 CZ C:ARG729 4.6 31.6 1.0 CD1 C:ILE726 4.8 28.3 1.0 ND1 C:HIS436 4.8 27.7 1.0 OH C:TYR731 4.8 24.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan


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 Catalytic Domain From GH74 Enzyme POGH74 From Paenibacillus Odorifer, in Complex with Xlx Xyloglucan within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl819 b:77.9 occ:1.00 O D:ALA601 3.7 46.2 1.0 O D:HOH920 3.8 65.1 1.0 O D:HOH946 3.9 40.8 1.0 C3 D:GOL814 3.9 73.8 1.0 O D:HOH1083 4.1 31.0 1.0 C2 D:GOL814 4.1 74.4 1.0 O3 D:GOL814 4.2 73.3 1.0 C1 D:GOL814 4.2 78.4 1.0 O D:GLY584 4.4 39.2 1.0 CA D:SER602 4.6 44.4 1.0 C D:ALA601 4.6 43.8 1.0 OG1 D:THR585 4.6 36.6 1.0 CB D:SER602 4.9 49.3 1.0

G.Arnal, P.J.Stogios, J.Asohan, T.Skarina, A.Savchenko, H.Brumer. Structural Enzymology Reveals the Molecular Basis of Substrate Regiospecificity and Processivity of An Exemplar Bacterial Glycoside Hydrolase Family 74ENDO-Xyloglucanase. Biochem. J. V. 475 3963 2018.
ISSN: ESSN 1470-8728
PubMed: 30463871
DOI: 10.1042/BCJ20180763