Chlorine in PDB 3mx3: Crystal Structure of A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution

The structure of Crystal Structure of A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution, PDB code: 3mx3 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.18 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	153.350, 87.876, 78.253, 90.00, 116.66, 90.00
R / Rfree (%)	16.4 / 21.6

The structure of Crystal Structure of A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution (pdb code 3mx3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution, PDB code: 3mx3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution


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 A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:21.1 occ:1.00 NZ A:LYS192 3.0 11.8 1.0 OG A:SER188 3.0 15.2 0.5 OG A:SER188 3.2 11.9 0.5 CB A:SER188 3.5 14.1 0.5 CB A:SER188 3.5 13.4 0.5 CE A:LYS192 3.7 13.8 1.0 CD A:LYS192 3.8 13.5 1.0 CD A:LYS189 3.9 17.4 1.0 CG A:LYS189 3.9 13.1 1.0 C A:SER188 4.0 11.1 1.0 N A:LYS189 4.0 10.7 1.0 CE A:LYS189 4.0 20.4 1.0 NZ A:LYS189 4.0 25.6 1.0 OD1 A:ASP235 4.2 11.6 1.0 O A:SER188 4.3 12.1 1.0 CA A:LYS189 4.4 11.0 1.0 CA A:SER188 4.4 12.8 0.5 CA A:SER188 4.4 12.3 0.5 CB A:LYS189 4.8 12.1 1.0 CG A:ASP235 4.9 13.1 1.0 OG A:SER186 4.9 18.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution


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 A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:23.0 occ:1.00 O A:HOH1107 3.0 25.1 1.0 N A:PHE312 3.2 18.2 1.0 O A:HOH826 3.3 16.6 1.0 CE A:MSE74 3.5 24.2 0.5 CA A:PRO311 3.7 18.0 1.0 C A:PRO311 3.9 17.1 1.0 CB A:PHE312 4.2 16.3 1.0 CA A:PHE312 4.3 17.1 1.0 CB A:PRO311 4.3 19.0 1.0 CG2 A:THR457 4.3 17.8 1.0 NH1 A:ARG459 4.3 28.7 0.5 SE A:MSE74 4.3 24.0 0.4 CB A:THR457 4.4 18.4 1.0 CE2 A:TYR79 4.5 18.3 1.0 CZ A:TYR79 4.8 13.0 1.0 CA A:THR457 4.9 17.3 1.0 NE A:ARG459 4.9 26.3 0.5 N A:PRO311 4.9 17.1 1.0 OH A:TYR79 4.9 10.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution


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 A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:28.9 occ:1.00 O A:HOH662 2.9 11.0 1.0 N A:TYR440 3.1 9.9 1.0 O A:ASP61 3.2 9.8 1.0 CA A:TYR437 3.4 9.3 1.0 CB A:VAL439 3.6 11.7 1.0 C A:TYR437 3.6 10.3 1.0 CB A:ASP61 3.6 7.8 1.0 CB A:TYR440 3.6 9.7 1.0 N A:VAL439 3.7 11.1 1.0 CB A:ALA65 3.8 8.9 1.0 O A:TYR437 3.8 11.3 1.0 O A:HOH1095 3.8 24.7 1.0 C A:ASP61 3.8 8.2 1.0 N A:TYR437 3.8 7.5 1.0 CA A:VAL439 3.9 9.9 1.0 CA A:TYR440 4.0 10.9 1.0 OD2 A:ASP61 4.0 9.5 1.0 C A:VAL439 4.0 11.5 1.0 CA A:ASP61 4.1 8.9 1.0 N A:ASP438 4.2 10.9 1.0 CG A:ASP61 4.3 11.1 1.0 CG2 A:VAL439 4.5 7.8 1.0 CG1 A:VAL439 4.5 8.6 1.0 C A:ASP438 4.6 9.8 1.0 CB A:TYR437 4.6 9.9 1.0 N A:ALA65 4.8 7.3 1.0 N A:GLU62 4.8 9.5 1.0 CA A:ALA65 4.8 9.5 1.0 CD1 A:TYR437 4.9 10.0 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Susd Homolog (BF0972) From Bacteroides Fragilis Nctc 9343 at 2.00 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:29.1 occ:1.00 OH B:TYR241 3.1 12.7 1.0 SE B:MSE239 3.2 15.5 0.2 N B:SER52 3.3 11.3 1.0 O B:SER52 3.5 18.6 1.0 CE1 B:TYR241 3.6 15.0 1.0 CZ B:TYR241 3.8 10.6 1.0 CA B:SER51 3.8 14.3 1.0 CB B:SER51 4.0 16.3 1.0 C B:SER51 4.0 13.1 1.0 O B:HOH709 4.1 12.6 1.0 CA B:SER52 4.2 13.2 1.0 C B:SER52 4.3 14.6 1.0 CE B:MSE239 4.5 16.1 0.7 CB B:SER52 4.5 11.2 1.0 CG B:MSE239 4.6 16.3 0.7 CE B:MSE239 4.7 15.2 0.3 CG B:MSE239 4.7 15.2 0.3 CG B:PRO250 4.8 14.5 1.0 CD1 B:TYR241 4.8 19.0 1.0 O B:THR50 4.9 16.3 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.