Chlorine in PDB 2id3: Crystal Structure of Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2)

The structure of Crystal Structure of Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2), PDB code: 2id3 was solved by M.Grabowski, M.Chruszcz, K.D.Koclega, M.Cymborowski, J.Gu, X.Xu, A.Savchenko, A.Edwards, A.Joachimiak, W.Minor, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.069, 85.617, 126.341, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.9

The structure of Crystal Structure of Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2) also contains other interesting chemical elements:

Calcium

(Ca)

8 atoms

The binding sites of Chlorine atom in the Crystal Structure of Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2) (pdb code 2id3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2), PDB code: 2id3:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2)


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 Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:16.2 occ:1.00 OG A:SER165 3.0 7.6 1.0 O A:HOH616 3.1 14.5 1.0 OH B:TYR170 3.1 8.2 1.0 O A:HOH648 3.3 15.0 1.0 CB A:SER165 3.5 6.4 1.0 CD1 A:TYR131 3.6 6.2 1.0 CE1 A:TYR131 3.7 4.8 1.0 NH1 A:ARG134 3.8 10.6 1.0 CD A:ARG134 3.9 10.0 1.0 CE2 A:TYR169 3.9 6.1 1.0 CZ B:TYR170 4.0 7.1 1.0 CE1 B:TYR170 4.1 5.5 1.0 O A:HOH627 4.3 10.7 1.0 OH A:TYR169 4.5 7.7 1.0 CG2 A:VAL97 4.5 5.2 1.0 CZ A:ARG134 4.6 13.9 1.0 NE A:ARG134 4.6 12.0 1.0 CZ A:TYR169 4.6 7.7 1.0 CD2 A:TYR169 4.8 8.3 1.0 CG A:ARG134 4.9 11.8 1.0 CA A:SER165 4.9 5.8 1.0 CG A:TYR131 5.0 4.9 1.0 CZ A:TYR131 5.0 3.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2)


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 Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl611 b:20.1 occ:1.00 O A:HOH685 2.9 18.9 1.0 O A:HOH841 3.1 21.0 1.0 O A:HOH629 3.2 14.1 1.0 N A:LEU41 3.2 9.6 1.0 CD A:PRO62 3.8 2.4 1.0 CD1 A:LEU41 3.8 10.6 1.0 CG A:PRO62 3.9 4.0 1.0 CB A:LEU41 3.9 10.1 1.0 CA A:ASP40 3.9 8.7 1.0 C A:ASP40 4.0 9.7 1.0 CA A:LEU41 4.1 9.9 1.0 CE1 A:TYR56 4.2 10.3 1.0 CG A:LEU41 4.3 11.1 1.0 OD1 A:ASP40 4.3 13.8 1.0 CG A:ASP40 4.4 8.9 1.0 O A:LEU39 4.6 8.3 1.0 CD2 A:LEU41 4.6 9.5 1.0 OH A:TYR56 4.7 10.6 1.0 CB A:ASP40 4.7 8.2 1.0 N A:PRO62 4.7 3.5 1.0 OD2 A:ASP40 4.8 9.1 1.0 O A:HOH729 4.8 22.1 1.0 CZ A:TYR56 4.9 12.2 1.0 N A:ASP40 5.0 7.7 1.0 CD1 A:TYR56 5.0 11.0 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2)


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 Transcriptional Regulator SCO5951 From Streptomyces Coelicolor A3(2) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl609 b:13.5 occ:1.00 OG B:SER165 3.0 7.3 1.0 O B:HOH632 3.0 13.4 1.0 OH A:TYR170 3.1 7.6 1.0 O B:HOH622 3.3 10.6 1.0 CB B:SER165 3.5 6.7 1.0 CD1 B:TYR131 3.6 5.1 1.0 CE1 B:TYR131 3.7 3.1 1.0 CD B:ARG134 3.8 9.9 1.0 NH1 B:ARG134 3.8 8.0 1.0 CE1 B:TYR169 3.9 5.7 1.0 CZ A:TYR170 4.1 5.3 1.0 CE1 A:TYR170 4.1 7.1 1.0 O B:HOH626 4.3 8.7 1.0 NE B:ARG134 4.4 9.8 1.0 CZ B:ARG134 4.4 9.7 1.0 OH B:TYR169 4.5 4.8 1.0 CG2 B:VAL97 4.5 8.5 1.0 CZ B:TYR169 4.7 4.2 1.0 CG B:ARG134 4.7 8.1 1.0 CD1 B:TYR169 4.8 6.8 1.0 CA B:SER165 5.0 6.5 1.0 CG B:TYR131 5.0 4.1 1.0 CB B:ARG134 5.0 5.4 1.0 CZ B:TYR131 5.0 4.7 1.0

M.Grabowski, M.Chruszcz, K.D.Koclega, M.Cymborowski, J.Gu, X.Xu, A.Savchenko, A.Edwards, A.Joachimiak, W.Minor, Midwest Center Forstructural Genomics (Mcsg). N/A N/A.