Chlorine in PDB 3d7j: SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor

The structure of SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor, PDB code: 3d7j was solved by J.E.Spoonamore, S.A.Roberts, A.Heroux, V.Bandarian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.34 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.400, 88.000, 120.900, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 22.4

The structure of SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor (pdb code 3d7j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor, PDB code: 3d7j:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl135 b:22.7 occ:1.00 O A:HOH252 2.9 30.2 1.0 O A:HOH217 3.0 29.5 1.0 N A:ASN81 3.2 16.2 1.0 O A:HOH275 3.4 40.8 1.0 NH1 A:ARG17 3.5 25.2 0.5 CB F:ASN47 3.6 16.7 1.0 CA A:VAL80 3.8 19.5 1.0 CG F:ASN47 3.8 16.3 1.0 CB A:ASN81 3.9 15.2 1.0 C A:VAL80 4.0 18.2 1.0 ND2 F:ASN47 4.0 16.4 1.0 ND2 A:ASN81 4.1 17.0 1.0 O A:GLY79 4.1 21.6 1.0 CA A:ASN81 4.1 16.1 1.0 CG A:ASN81 4.2 16.1 1.0 CG1 A:VAL80 4.3 20.2 1.0 OD1 F:ASN47 4.4 16.7 1.0 O F:ASP46 4.5 16.9 1.0 CB A:VAL80 4.5 19.9 1.0 CZ A:ARG17 4.6 25.5 0.5 C F:ASP46 4.6 17.6 1.0 CA F:ASN47 4.7 16.2 1.0 N F:ASN47 4.7 17.1 1.0 NH2 A:ARG17 4.8 26.1 0.5 N A:VAL80 4.9 20.1 1.0 CG2 A:VAL80 4.9 21.3 1.0 O F:GLU45 4.9 21.0 1.0 O A:ASN81 4.9 15.1 1.0 C A:GLY79 4.9 20.6 1.0 OD1 A:ASN81 4.9 15.9 1.0

Chlorine binding site 2 out of 3 in the SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl133 b:25.8 occ:1.00 O B:HOH161 3.0 42.6 1.0 O B:HOH146 3.1 30.3 1.0 N B:ASN81 3.2 17.0 1.0 CB A:ASN47 3.6 15.9 1.0 CA B:VAL80 3.8 20.7 1.0 CB B:ASN81 3.9 16.3 1.0 CG A:ASN47 3.9 17.3 1.0 C B:VAL80 4.0 18.9 1.0 O B:HOH213 4.0 51.9 1.0 ND2 A:ASN47 4.1 18.6 1.0 CG B:ASN81 4.1 17.1 1.0 ND2 B:ASN81 4.1 17.8 1.0 CA B:ASN81 4.1 16.4 1.0 CG1 B:VAL80 4.2 23.0 1.0 O B:GLY79 4.3 22.7 1.0 O A:ASP46 4.4 16.6 1.0 OD1 A:ASN47 4.5 18.5 1.0 C A:ASP46 4.6 17.5 1.0 CB B:VAL80 4.6 21.4 1.0 N A:ASN47 4.7 16.9 1.0 CA A:ASN47 4.7 15.8 1.0 OD1 B:ASN81 4.8 19.2 1.0 O B:ASN81 4.8 16.5 1.0 O A:GLU45 4.8 21.3 1.0 N B:VAL80 4.9 20.9 1.0

Chlorine binding site 3 out of 3 in the SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of SCO6650, A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl133 b:24.5 occ:1.00 O E:HOH156 3.0 32.2 1.0 N D:ASN81 3.2 15.4 1.0 CB E:ASN47 3.6 17.2 1.0 CA D:VAL80 3.8 19.1 1.0 CG E:ASN47 3.9 16.6 1.0 CB D:ASN81 3.9 15.1 1.0 C D:VAL80 4.0 17.4 1.0 ND2 E:ASN47 4.1 18.1 1.0 CG D:ASN81 4.1 15.1 1.0 ND2 D:ASN81 4.1 15.5 1.0 CG1 D:VAL80 4.1 22.1 1.0 CA D:ASN81 4.2 14.5 1.0 O D:GLY79 4.2 22.0 1.0 O E:ASP46 4.5 17.5 1.0 CB D:VAL80 4.5 19.2 1.0 OD1 E:ASN47 4.5 19.3 1.0 C E:ASP46 4.7 18.4 1.0 N E:ASN47 4.7 17.1 1.0 CA E:ASN47 4.7 16.6 1.0 O E:GLU45 4.8 22.7 1.0 OD1 D:ASN81 4.8 15.8 1.0 N D:VAL80 4.9 19.5 1.0 O D:ASN81 4.9 13.8 1.0 C D:GLY79 5.0 20.9 1.0 CG2 D:VAL80 5.0 22.4 1.0

J.E.Spoonamore, S.A.Roberts, A.Heroux, V.Bandarian. Structure of A 6-Pyruvoyltetrahydropterin Synthase Homolog From Streptomyces Coelicolor. Acta Crystallogr.,Sect.F V. 64 875 2008.
ISSN: ESSN 1744-3091
PubMed: 18931427
DOI: 10.1107/S1744309108027048