Chlorine in PDB 6p2n: Crystal Structure of Paenibacillus Graminis GH74 (PGGH74)

The structure of Crystal Structure of Paenibacillus Graminis GH74 (PGGH74), PDB code: 6p2n was solved by P.J.Stogios, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.45 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.494, 86.214, 130.197, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 18

The structure of Crystal Structure of Paenibacillus Graminis GH74 (PGGH74) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Paenibacillus Graminis GH74 (PGGH74) (pdb code 6p2n). 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 Paenibacillus Graminis GH74 (PGGH74), PDB code: 6p2n:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Paenibacillus Graminis GH74 (PGGH74)


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 Paenibacillus Graminis GH74 (PGGH74) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:18.2 occ:1.00 OG A:SER159 2.9 14.2 1.0 N A:SER159 3.1 12.2 1.0 C A:GLY293 3.2 13.4 1.0 N A:PRO294 3.3 13.8 1.0 N A:ARG158 3.5 13.7 1.0 N A:GLY157 3.5 14.0 1.0 O A:VAL292 3.5 20.4 1.0 CA A:GLY157 3.5 14.8 1.0 CB A:SER159 3.5 12.7 1.0 C A:GLY157 3.6 14.6 1.0 CA A:PRO294 3.6 14.9 1.0 CD A:PRO294 3.6 15.2 1.0 CA A:GLY293 3.6 14.7 1.0 CB A:PRO294 3.6 14.0 1.0 O A:GLY293 3.6 15.8 1.0 CA A:SER159 3.8 12.7 1.0 CE1 A:HIS274 3.9 18.7 1.0 C A:ARG158 4.1 11.4 1.0 CG A:PRO294 4.2 16.5 1.0 O A:GLY157 4.3 14.0 1.0 CA A:ARG158 4.3 12.9 1.0 C A:VAL292 4.4 18.2 1.0 N A:ALA160 4.4 12.0 1.0 C A:SER159 4.4 11.4 1.0 N A:GLY293 4.5 16.3 1.0 CG A:ARG158 4.5 13.0 1.0 NE2 A:HIS274 4.5 16.9 1.0 C A:PRO156 4.7 19.5 1.0 CZ A:PHE52 4.9 14.4 1.0 CB A:ARG158 5.0 14.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Paenibacillus Graminis GH74 (PGGH74)


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 Paenibacillus Graminis GH74 (PGGH74) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:39.8 occ:1.00 NE A:ARG69 3.0 12.3 1.0 O A:HOH1557 3.0 22.4 1.0 O A:HOH1558 3.3 18.2 1.0 O A:HOH1611 3.5 31.6 1.0 N A:LEU105 3.6 10.7 1.0 NH2 A:ARG69 3.6 13.5 1.0 O A:LEU105 3.7 12.8 1.0 CZ A:ARG69 3.7 11.4 1.0 CD A:ARG69 3.9 11.9 1.0 CG1 A:ILE57 4.0 15.0 1.0 CA A:ALA104 4.0 10.9 1.0 CD1 A:ILE57 4.2 17.9 1.0 C A:ALA104 4.3 11.4 1.0 O A:HOH1299 4.4 19.9 1.0 CA A:LEU105 4.5 11.6 1.0 C A:LEU105 4.5 11.5 1.0 CB A:ALA104 4.6 12.1 1.0 CA A:GLU162 4.7 17.3 1.0 CB A:LEU105 4.7 10.6 1.0 CG A:ARG69 4.8 13.0 1.0 CG A:GLU162 4.8 27.2 1.0 CB A:GLU162 4.9 20.4 1.0 O A:HOH1336 5.0 19.6 1.0 O A:ASP103 5.0 12.8 1.0 NH1 A:ARG69 5.0 12.3 1.0

G.Arnal, P.J.Stogios, J.Asohan, M.A.Attia, T.Skarina, A.H.Viborg, B.Henrissat, A.Savchenko, H.Brumer. Substrate Specificity, Regiospecificity, and Processivity in Glycoside Hydrolase Family 74. J.Biol.Chem. V. 294 13233 2019.
ISSN: ESSN 1083-351X
PubMed: 31324716
DOI: 10.1074/JBC.RA119.009861