Chlorine in PDB 6p2o: Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg

The structure of Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg, PDB code: 6p2o was solved by P.J.Stogios, T.Skarina, 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)	24.82 / 1.88
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.996, 112.788, 222.759, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 18

The binding sites of Chlorine atom in the Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg (pdb code 6p2o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg, PDB code: 6p2o:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg


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 Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl825 b:75.2 occ:1.00 NH2 A:ARG464 3.4 73.1 1.0 NH1 A:ARG464 3.6 67.6 1.0 NH2 A:ARG92 3.8 63.3 1.0 CZ A:ARG464 3.9 68.9 1.0 NH1 A:ARG92 4.5 53.4 1.0 CZ A:ARG92 4.6 58.3 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg


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 Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl826 b:76.2 occ:1.00 O A:HOH1796 3.2 41.5 1.0 O A:HOH1728 3.5 66.4 1.0 ND2 A:ASN447 3.7 38.8 1.0 ND2 A:ASN450 4.2 56.5 1.0 CB A:ASN447 4.5 31.2 1.0 CG A:ASN447 4.6 33.6 1.0 OD1 A:ASN450 4.8 50.4 1.0 CG A:ASN450 4.9 53.9 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg


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 Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl827 b:53.0 occ:1.00 O3 A:GAL802 3.3 51.2 1.0 O A:HOH1690 3.5 21.5 1.0 O A:HOH1657 3.6 28.1 1.0 NH1 A:ARG648 3.7 19.7 1.0 NH2 A:ARG648 3.9 20.5 1.0 O A:HOH1972 3.9 83.2 1.0 O A:HOH1759 3.9 39.6 1.0 C3 A:GAL802 3.9 42.2 1.0 O A:HOH1011 4.2 46.9 1.0 CB A:PRO646 4.3 17.2 1.0 CZ A:ARG648 4.3 16.2 1.0 O A:HOH1642 4.4 25.8 0.5 O A:HOH1764 4.4 64.5 1.0 O2 A:GAL802 4.6 36.7 1.0 O A:HOH1953 4.8 82.1 1.0 C2 A:GAL802 4.9 42.5 1.0 C4 A:GAL802 4.9 34.8 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg


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 Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl824 b:58.9 occ:1.00 N B:ASP332 3.3 22.7 1.0 O B:HOH1492 3.7 31.0 1.0 CB B:ASP332 3.9 32.7 1.0 CA B:ALA331 4.0 23.8 1.0 O B:HOH1458 4.2 19.6 1.0 C B:ALA331 4.2 24.4 1.0 CA B:ASP332 4.3 26.9 1.0 CB B:ALA331 4.4 28.7 1.0 O B:HOH1785 4.7 20.1 0.5 O B:HOH2065 4.7 57.4 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl825 b:71.6 occ:1.00 O B:HOH1742 3.1 80.8 1.0 NH1 B:ARG391 3.4 27.3 1.0 NH2 B:ARG391 3.9 28.5 1.0 CZ B:ARG391 4.1 27.8 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl826 b:78.3 occ:1.00 O B:HOH1998 2.8 55.1 1.0 N B:SER244 3.1 40.5 1.0 CB B:SER244 3.5 48.5 1.0 O B:HOH1026 3.6 43.8 1.0 CB B:SER243 3.8 35.0 1.0 CA B:SER244 3.9 47.2 1.0 CA B:SER243 3.9 32.2 1.0 C B:SER243 4.0 36.8 1.0 OG B:SER244 4.8 51.0 1.0 OG B:SER243 5.0 39.4 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Streptomyces Rapamycinicus GH74 in Complex with Xyloglucan Fragments Xllg and Xxxg within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl827 b:68.7 occ:1.00 NH2 B:ARG768 3.3 35.3 1.0 O B:HOH1882 3.5 59.9 1.0 OD2 B:ASP499 3.6 29.6 1.0 NZ B:LYS51 3.8 39.9 1.0 NH1 B:ARG768 4.0 22.2 1.0 O B:HOH1505 4.0 45.1 1.0 CZ B:ARG768 4.1 31.7 1.0 O B:HOH1849 4.2 57.3 1.0 CG B:ASP499 4.5 29.5 1.0 OD1 B:ASP499 4.6 23.2 1.0 O B:HOH1968 4.7 38.0 1.0 CE B:LYS51 4.8 40.6 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