Chlorine in PDB 2y3s: Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group

The structure of Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group, PDB code: 2y3s was solved by J.C.Carlson, S.Li, S.S.Gunatilleke, Y.Anzai, D.A.Burr, L.M.Podust, D.H.Sherman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.76 / 1.67
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.046, 105.786, 70.971, 90.00, 110.67, 90.00
R / Rfree (%)	16.1 / 22

The structure of Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group (pdb code 2y3s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group, PDB code: 2y3s:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1504 b:31.4 occ:1.00 O A:HOH2151 3.0 27.8 1.0 O A:HOH2042 3.2 43.9 1.0 NH1 A:ARG197 3.3 17.7 1.0 N A:ALA38 3.3 16.3 1.0 NH2 A:ARG197 3.6 21.9 1.0 CA A:SER37 3.8 16.8 1.0 CZ A:ARG197 3.9 19.5 1.0 O A:HOH2046 3.9 22.2 1.0 CB A:SER37 4.0 16.9 1.0 C A:SER37 4.1 16.7 1.0 CB A:ALA38 4.1 17.0 1.0 CG1 A:VAL196 4.3 14.4 1.0 CA A:ALA38 4.3 17.0 1.0 OE2 A:GLU154 4.4 21.4 1.0

Chlorine binding site 2 out of 5 in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1505 b:17.0 occ:1.00 N A:ALA492 3.2 9.8 1.0 O A:HOH2079 3.2 38.7 1.0 O A:HOH2076 3.2 29.4 1.0 O A:HOH2077 3.3 33.0 1.0 ND2 A:ASN70 3.5 28.8 1.0 O A:ASP66 3.6 12.8 1.0 CA A:PHE67 3.8 12.8 1.0 CB A:HIS491 3.8 9.5 1.0 CD1 A:PHE67 3.9 13.5 1.0 C A:ASP66 3.9 12.0 1.0 CB A:ALA492 3.9 12.1 1.0 CA A:HIS491 3.9 9.3 1.0 C A:HIS491 4.0 9.3 1.0 N A:PHE67 4.0 11.7 1.0 CA A:ALA492 4.1 10.9 1.0 CB A:ASN70 4.2 14.6 1.0 CG A:ASN70 4.3 21.5 1.0 CB A:ASP66 4.6 13.7 1.0 CE1 A:PHE67 4.6 11.7 1.0 C A:PHE67 4.6 11.7 1.0 CA A:ASP66 4.7 11.4 1.0 O A:PHE67 4.8 13.2 1.0 CG A:PHE67 4.8 13.2 1.0 CB A:PHE67 4.8 12.8 1.0 O A:ALA492 4.9 12.0 1.0 N A:ASP66 5.0 11.0 1.0

Chlorine binding site 3 out of 5 in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1502 b:47.5 occ:1.00 ND1 B:HIS151 3.0 25.8 1.0 NE B:ARG171 3.5 25.6 1.0 NH2 B:ARG171 3.6 25.5 1.0 OE2 B:GLU172 3.6 47.5 1.0 CE1 B:HIS151 3.6 29.0 1.0 NH2 B:ARG201 3.8 33.4 1.0 NE B:ARG201 3.9 27.7 1.0 CZ B:ARG171 4.0 26.7 1.0 O B:ALA203 4.2 37.0 1.0 CG B:HIS151 4.2 22.1 1.0 CZ B:ARG201 4.3 30.5 1.0 CA B:ALA203 4.4 30.8 1.0 CG B:ARG171 4.5 24.4 1.0 CD B:ARG171 4.5 26.7 1.0 CD B:GLU172 4.6 42.0 1.0 CB B:ARG171 4.6 20.6 1.0 CB B:HIS151 4.6 16.4 1.0 OE1 B:GLU172 4.7 45.4 1.0 O B:THR202 4.8 24.0 1.0 C B:ALA203 4.8 33.9 1.0 NE2 B:HIS151 4.9 29.5 1.0

Chlorine binding site 4 out of 5 in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1504 b:60.3 occ:1.00 OG1 B:THR280 3.5 14.3 1.0 O B:VAL266 3.7 11.8 1.0 N B:THR280 3.9 12.5 1.0 CB B:ALA268 4.0 12.7 1.0 CG1 B:VAL266 4.1 13.1 1.0 CB B:THR280 4.1 13.0 1.0 O B:ALA278 4.2 13.6 1.0 O B:HOH2262 4.2 0.5 1.0 CA B:MET279 4.3 13.8 1.0 C B:MET279 4.3 12.4 1.0 CB B:VAL266 4.3 9.4 1.0 C B:VAL266 4.5 9.8 1.0 C B:ALA278 4.5 14.2 1.0 N B:MET279 4.5 12.8 1.0 N B:ALA268 4.6 11.4 1.0 CA B:THR280 4.7 11.3 1.0 CA B:ALA268 4.9 11.8 1.0 CB B:ALA278 5.0 14.1 1.0

Chlorine binding site 5 out of 5 in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1505 b:19.6 occ:1.00 O B:HOH2072 3.1 46.3 1.0 O B:HOH2073 3.1 23.1 1.0 N B:ALA492 3.2 11.0 1.0 ND2 B:ASN70 3.6 24.5 1.0 O B:ASP66 3.6 11.1 1.0 CB B:ALA492 3.7 12.0 1.0 CB B:HIS491 3.8 10.4 1.0 CA B:PHE67 3.9 11.8 1.0 C B:ASP66 3.9 10.7 1.0 CD1 B:PHE67 4.0 12.0 1.0 CA B:HIS491 4.0 11.2 1.0 C B:HIS491 4.0 10.8 1.0 CA B:ALA492 4.1 11.3 1.0 N B:PHE67 4.1 10.9 1.0 CB B:ASN70 4.4 13.1 1.0 CG B:ASN70 4.4 17.1 1.0 CE1 B:PHE67 4.7 11.9 1.0 C B:PHE67 4.7 12.4 1.0 O B:PHE67 4.7 12.6 1.0 CB B:ASP66 4.8 13.5 1.0 CB B:PHE67 4.8 11.4 1.0 CA B:ASP66 4.8 12.5 1.0 CG B:PHE67 4.8 11.5 1.0 NH2 B:ARG54 4.9 31.3 1.0 O B:ALA492 4.9 13.1 1.0

J.C.Carlson, S.Li, S.S.Gunatilleke, Y.Anzai, D.A.Burr, L.M.Podust, D.H.Sherman. Tirandamycin Biosynthesis Is Mediated By Co-Dependent Oxidative Enzymes Nat.Chem V. 3 628 2011.
ISSN: ISSN 1755-4330
PubMed: 21778983
DOI: 10.1038/NCHEM.1087