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Chlorine in PDB 2y4g: Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group

Protein crystallography data

The structure of Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group, PDB code: 2y4g 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) 134.54 / 2.03
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 64.020, 130.400, 134.540, 90.00, 90.00, 90.00
R / Rfree (%) 15.886 / 23.566

Other elements in 2y4g:

The structure of Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 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 P212121 Space Group (pdb code 2y4g). 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 Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group, PDB code: 2y4g:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2y4g

Go back to Chlorine Binding Sites List in 2y4g
Chlorine binding site 1 out of 5 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 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 P212121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1501

b:43.9
occ:1.00
 O A:HOH2146 3.0 28.1 1.0
N A:ALA38 3.2 17.4 1.0
NH1 A:ARG197 3.4 21.5 1.0
NH2 A:ARG197 3.6 18.1 1.0
O A:HOH2051 3.7 18.9 1.0
CA A:SER37 3.8 17.8 1.0
CG1 A:VAL196 3.8 11.6 1.0
O A:HOH2050 3.8 49.8 1.0
CB A:ALA38 3.8 17.3 1.0
C A:SER37 3.9 17.8 1.0
CZ A:ARG197 4.0 18.1 1.0
CB A:SER37 4.0 17.4 1.0
CA A:ALA38 4.1 18.0 1.0
OE2 A:GLU154 4.6 21.2 1.0
CD2 A:LEU82 4.9 15.3 1.0
O A:GLY36 5.0 18.2 1.0

Chlorine binding site 2 out of 5 in 2y4g

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Chlorine binding site 2 out of 5 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 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 P212121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1502

b:38.7
occ:1.00
 O A:HOH2245 2.8 22.8 1.0
OD2 A:ASP124 2.9 18.8 1.0
N A:ASP124 3.1 13.8 1.0
CD A:PRO123 3.4 12.2 1.0
N A:PRO123 3.4 13.3 1.0
CB A:ASP124 3.5 14.3 1.0
O A:HOH2127 3.5 53.5 1.0
CB A:CYS122 3.5 14.8 1.0
CG A:ASP124 3.6 18.0 1.0
CG A:PRO123 3.8 14.3 1.0
C A:CYS122 3.8 13.6 1.0
CA A:ASP124 3.8 14.0 1.0
CA A:CYS122 3.9 14.0 1.0
C A:PRO123 4.1 12.9 1.0
C7M A:FAD600 4.2 14.2 1.0
CA A:PRO123 4.2 12.5 1.0
CB A:PRO123 4.5 12.5 1.0
O A:CYS122 4.5 13.7 1.0
CL A:CL1503 4.5 53.6 1.0
C A:ASP124 4.6 14.2 1.0
SG A:CYS122 4.6 16.2 1.0
N A:VAL125 4.6 13.5 1.0
OD1 A:ASP124 4.7 20.9 1.0
CE1 A:HIS62 4.7 12.0 1.0
O A:ALA328 4.8 19.6 1.0
NE2 A:HIS62 4.8 12.5 1.0

Chlorine binding site 3 out of 5 in 2y4g

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Chlorine binding site 3 out of 5 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 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 P212121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1503

b:53.6
occ:1.00
 MG A:MG700 2.7 24.7 1.0
NE2 A:HIS62 3.0 12.5 1.0
CB A:ASP124 3.4 14.3 1.0
CE1 A:HIS62 3.6 12.0 1.0
CG A:MET333 3.6 19.9 1.0
OE1 A:GLU21 3.7 14.4 1.0
CG A:GLU21 3.7 15.0 1.0
CD A:GLU21 3.9 12.8 1.0
CG A:ASP124 3.9 18.0 1.0
OD2 A:ASP124 4.0 18.8 1.0
CD2 A:HIS62 4.1 11.3 1.0
CB A:GLU21 4.3 13.4 1.0
O A:HOH2027 4.4 14.4 1.0
CB A:MET333 4.4 18.3 1.0
O A:HOH2026 4.4 19.4 1.0
CL A:CL1502 4.5 38.7 1.0
O B:HOH2258 4.6 28.8 1.0
OE2 A:GLU21 4.7 11.5 1.0
CA A:ASP124 4.7 14.0 1.0
ND1 A:HIS62 4.8 13.6 1.0
OD1 A:ASP124 4.8 20.9 1.0
SD A:MET333 5.0 21.7 1.0
O A:ASP124 5.0 15.8 1.0

Chlorine binding site 4 out of 5 in 2y4g

Go back to Chlorine Binding Sites List in 2y4g
Chlorine binding site 4 out of 5 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 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 P212121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1504

b:48.6
occ:1.00
 O A:SER494 2.9 15.1 1.0
CD A:ARG496 3.1 36.5 1.0
O A:HOH2319 3.1 25.3 1.0
CG A:ARG496 3.6 28.0 1.0
N A:SER494 3.9 14.2 1.0
OG A:SER494 3.9 16.4 1.0
C A:SER494 4.0 14.7 1.0
CZ2 A:TRP464 4.0 16.8 1.0
O A:HOH2352 4.0 41.5 1.0
CB A:ARG496 4.1 22.1 1.0
O A:HIS491 4.3 16.7 1.0
NE A:ARG496 4.3 41.4 1.0
CA A:SER494 4.4 14.4 1.0
O A:ALA492 4.5 18.0 1.0
NH1 A:ARG496 4.6 45.1 1.0
CE2 A:TRP464 4.6 15.7 1.0
C A:LEU493 4.6 14.2 1.0
O A:HOH2165 4.7 72.1 1.0
NE1 A:TRP464 4.7 15.8 1.0
CH2 A:TRP464 4.7 17.7 1.0
CB A:SER494 4.8 14.2 1.0
O A:HOH2360 4.8 20.1 1.0
CA A:LEU493 4.8 14.6 1.0
C A:ALA492 4.9 17.2 1.0
CZ A:ARG496 4.9 44.8 1.0

Chlorine binding site 5 out of 5 in 2y4g

Go back to Chlorine Binding Sites List in 2y4g
Chlorine binding site 5 out of 5 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 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 P212121 Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1501

b:68.7
occ:1.00
 O B:HOH2149 3.2 41.0 1.0
O B:LYS380 3.5 17.7 1.0
CG2 B:VAL384 3.7 16.4 1.0
O B:HIS143 4.2 16.2 1.0
C B:LYS380 4.4 16.9 1.0
OD2 B:ASP148 4.4 16.4 1.0
CB B:LYS380 4.4 16.9 1.0
CA B:GLY144 4.4 14.7 1.0
CB B:ALA383 4.6 18.1 1.0
C B:HIS143 4.6 16.1 1.0
CG B:ASP148 4.7 15.3 1.0
CB B:ASP148 4.7 14.8 1.0
N B:GLY144 4.7 15.8 1.0
CA B:LYS380 4.9 17.4 1.0
OH B:TYR149 5.0 15.0 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 14:43:26 2024

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