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Chlorine in PDB 2y3r: Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group

Protein crystallography data

The structure of Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group, PDB code: 2y3r 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) 150.68 / 1.79
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.088, 106.171, 151.172, 90.00, 94.63, 90.00
R / Rfree (%) 14.6 / 21.9

Other elements in 2y3r:

The structure of Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group (pdb code 2y3r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group, PDB code: 2y3r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2y3r

Go back to Chlorine Binding Sites List in 2y3r
Chlorine binding site 1 out of 6 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 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 Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1501

b:19.2
occ:1.00
 O A:HOH2101 3.0 44.3 1.0
O A:HOH2096 3.1 31.4 1.0
O A:HOH2098 3.2 23.8 1.0
N A:ALA492 3.2 12.7 1.0
ND2 A:ASN70 3.3 28.4 1.0
O A:ASP66 3.7 11.1 1.0
CB A:HIS491 3.7 10.3 1.0
CA A:PHE67 3.8 11.9 1.0
CD1 A:PHE67 3.9 9.0 1.0
CA A:HIS491 3.9 12.0 1.0
CB A:ALA492 3.9 12.1 1.0
C A:ASP66 3.9 11.9 1.0
C A:HIS491 4.0 12.0 1.0
N A:PHE67 4.1 11.4 1.0
CA A:ALA492 4.1 12.3 1.0
CG A:ASN70 4.3 19.3 1.0
CB A:ASN70 4.4 14.6 1.0
CE1 A:PHE67 4.6 12.5 1.0
C A:PHE67 4.7 11.8 1.0
O A:PHE67 4.7 11.3 1.0
CB A:ASP66 4.7 13.3 1.0
CG A:PHE67 4.8 11.9 1.0
CB A:PHE67 4.8 11.1 1.0
CA A:ASP66 4.8 12.0 1.0
O A:ALA492 4.9 13.5 1.0

Chlorine binding site 2 out of 6 in 2y3r

Go back to Chlorine Binding Sites List in 2y3r
Chlorine binding site 2 out of 6 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 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 Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1502

b:18.7
occ:1.00
 N B:ALA492 3.1 11.3 1.0
O B:HOH2083 3.3 20.6 1.0
ND2 B:ASN70 3.4 25.8 1.0
O B:HOH2082 3.5 34.3 1.0
O B:ASP66 3.6 11.4 1.0
CB B:HIS491 3.8 10.1 1.0
CB B:ALA492 3.8 12.1 1.0
CA B:PHE67 3.8 10.7 1.0
CD1 B:PHE67 3.8 8.1 1.0
CA B:HIS491 3.9 11.0 1.0
C B:ASP66 3.9 11.0 1.0
C B:HIS491 4.0 11.3 1.0
CA B:ALA492 4.0 11.6 1.0
N B:PHE67 4.1 10.6 1.0
CB B:ASN70 4.2 14.3 1.0
CG B:ASN70 4.3 19.6 1.0
CE1 B:PHE67 4.5 12.3 1.0
C B:PHE67 4.7 11.2 1.0
O B:PHE67 4.7 12.1 1.0
CG B:PHE67 4.8 9.9 1.0
CB B:PHE67 4.8 10.3 1.0
NH2 B:ARG54 4.8 31.4 1.0
CB B:ASP66 4.9 13.3 1.0
CA B:ASP66 4.9 11.7 1.0
CG B:HIS491 5.0 10.2 1.0
O B:HOH2081 5.0 43.4 1.0

Chlorine binding site 3 out of 6 in 2y3r

Go back to Chlorine Binding Sites List in 2y3r
Chlorine binding site 3 out of 6 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 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 Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1503

b:24.4
occ:1.00
 O C:HOH2201 3.2 31.6 1.0
N C:ALA38 3.2 15.4 1.0
NH1 C:ARG197 3.4 16.4 1.0
NH2 C:ARG197 3.4 20.1 1.0
CA C:SER37 3.6 15.7 1.0
O C:HOH2056 3.7 48.9 1.0
CB C:SER37 3.9 15.5 1.0
C C:SER37 3.9 15.5 1.0
CZ C:ARG197 3.9 18.7 1.0
O C:HOH2060 4.2 20.6 1.0
CG1 C:VAL196 4.2 12.8 1.0
CB C:ALA38 4.2 15.0 1.0
CA C:ALA38 4.3 15.7 1.0
OE2 C:GLU154 4.6 20.4 1.0
CD2 C:LEU82 4.8 13.8 1.0
N C:SER37 4.9 15.7 1.0
O C:GLY36 5.0 15.5 1.0

Chlorine binding site 4 out of 6 in 2y3r

Go back to Chlorine Binding Sites List in 2y3r
Chlorine binding site 4 out of 6 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 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 Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1504

b:16.6
occ:1.00
 N C:ALA492 3.2 10.8 1.0
O C:HOH2101 3.2 23.6 1.0
O C:HOH2100 3.5 33.9 1.0
O C:ASP66 3.6 11.2 1.0
CB C:HIS491 3.7 8.5 1.0
ND2 C:ASN70 3.7 27.1 1.0
CA C:PHE67 3.9 11.1 1.0
CD1 C:PHE67 3.9 8.8 1.0
CB C:ALA492 3.9 9.3 1.0
C C:ASP66 3.9 11.2 1.0
CA C:HIS491 3.9 10.3 1.0
C C:HIS491 4.0 10.8 1.0
N C:PHE67 4.0 11.0 1.0
CA C:ALA492 4.1 10.2 1.0
CB C:ASN70 4.4 12.6 1.0
CG C:ASN70 4.5 17.6 1.0
O C:HOH2039 4.5 34.9 1.0
CB C:ASP66 4.6 12.6 1.0
CE1 C:PHE67 4.6 10.6 1.0
C C:PHE67 4.7 10.9 1.0
O C:PHE67 4.7 10.7 1.0
CA C:ASP66 4.8 11.1 1.0
CG C:PHE67 4.8 10.9 1.0
CB C:PHE67 4.8 10.5 1.0
CG C:HIS491 5.0 9.6 1.0
O C:ALA492 5.0 10.9 1.0

Chlorine binding site 5 out of 6 in 2y3r

Go back to Chlorine Binding Sites List in 2y3r
Chlorine binding site 5 out of 6 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 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 Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1503

b:19.7
occ:1.00
 O D:HOH2053 3.1 21.3 1.0
N D:ALA492 3.3 13.0 1.0
O D:HOH2069 3.5 31.0 1.0
O D:ASP66 3.6 12.6 1.0
CB D:HIS491 3.8 9.8 1.0
CA D:PHE67 3.8 11.9 1.0
CD1 D:PHE67 3.9 9.8 1.0
CB D:ALA492 3.9 12.2 1.0
C D:ASP66 3.9 11.5 1.0
CA D:HIS491 4.0 12.1 1.0
N D:PHE67 4.1 10.9 1.0
C D:HIS491 4.1 12.6 1.0
CA D:ALA492 4.2 12.5 1.0
CB D:ASN70 4.3 14.1 1.0
ND2 D:ASN70 4.3 29.3 1.0
CG D:ASN70 4.6 20.2 1.0
CE1 D:PHE67 4.6 10.5 1.0
CB D:ASP66 4.6 12.7 1.0
C D:PHE67 4.7 11.4 1.0
O D:PHE67 4.7 12.2 1.0
CA D:ASP66 4.8 11.9 1.0
CG D:PHE67 4.8 11.8 1.0
CB D:PHE67 4.8 11.1 1.0
O D:ALA492 5.0 12.4 1.0

Chlorine binding site 6 out of 6 in 2y3r

Go back to Chlorine Binding Sites List in 2y3r
Chlorine binding site 6 out of 6 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P21 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1504

b:54.4
occ:1.00
 OG1 D:THR280 3.4 14.7 1.0
CB D:ALA268 3.9 15.6 1.0
N D:THR280 4.1 12.4 1.0
O D:HOH2106 4.2 35.4 1.0
O D:ALA278 4.2 13.4 1.0
O D:VAL266 4.2 12.3 1.0
C D:ALA278 4.3 14.7 1.0
CB D:ALA278 4.3 15.0 1.0
N D:MET279 4.3 12.5 1.0
CB D:THR280 4.4 13.5 1.0
O D:HOH2128 4.4 79.7 1.0
CA D:MET279 4.4 12.8 1.0
C D:MET279 4.5 13.1 1.0
CA D:THR280 4.9 13.3 1.0
O D:HOH2298 4.9 24.6 1.0
CA D:ALA278 5.0 15.7 1.0
N D:ALA268 5.0 14.2 1.0
CG1 D:VAL266 5.0 10.7 1.0
O D:HOH2213 5.0 26.6 1.0

Reference:

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
Page generated: Sat Jul 20 14:42:26 2024

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