Chlorine in PDB 4df9: Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution

The structure of Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution, PDB code: 4df9 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)	48.73 / 2.17
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	238.730, 92.820, 173.890, 90.00, 125.26, 90.00
R / Rfree (%)	15.6 / 18.8

The structure of Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution also contains other interesting chemical elements:

Zinc	(Zn)	12 atoms
Sodium	(Na)	6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution (pdb code 4df9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution, PDB code: 4df9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 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 Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:70.0 occ:1.00 OG1 A:THR283 3.1 42.0 1.0 N A:GLU284 3.7 34.7 1.0 O A:HOH844 3.8 59.7 1.0 O A:HOH700 3.8 44.0 1.0 CB A:THR283 3.9 38.8 1.0 CA A:THR283 4.0 34.1 1.0 NE2 A:GLN285 4.0 67.1 1.0 C A:THR283 4.4 36.4 1.0 O A:HOH658 4.5 39.1 1.0 CG A:GLN285 4.6 50.8 1.0 CB A:GLU284 4.6 38.8 1.0 CA A:GLU284 4.7 36.2 1.0 CG A:GLU284 4.7 56.1 1.0 N A:GLN285 4.7 34.3 1.0 CD A:GLN285 4.8 77.4 1.0

Chlorine binding site 2 out of 15 in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 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 Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl510 b:60.6 occ:1.00 O B:HOH918 2.9 65.4 1.0 OG1 B:THR283 3.3 38.6 1.0 O B:HOH866 3.5 55.3 1.0 N B:GLU284 3.5 33.8 1.0 CA B:THR283 3.9 31.1 1.0 CB B:THR283 4.1 39.3 1.0 NE2 B:GLN285 4.2 87.7 1.0 C B:THR283 4.3 34.4 1.0 CB B:GLU284 4.3 37.6 1.0 CG B:GLU284 4.4 51.8 1.0 O B:HOH677 4.5 35.7 1.0 CA B:GLU284 4.5 35.4 1.0 N B:GLN285 4.6 34.8 1.0 CG B:GLN285 4.8 64.5 1.0 CD B:GLU284 4.9 85.5 1.0

Chlorine binding site 3 out of 15 in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 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 Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl511 b:66.3 occ:1.00 NE2 B:HIS163 3.3 36.3 1.0 CB E:GLU136 3.4 38.4 1.0 N E:VAL137 3.7 38.2 1.0 O B:HOH880 3.8 53.9 1.0 CA E:GLU136 3.8 35.9 1.0 O B:HOH752 4.1 38.0 1.0 CE1 B:TYR165 4.2 50.6 1.0 CE1 B:HIS163 4.2 35.4 1.0 C E:GLU136 4.3 39.8 1.0 CD2 B:HIS163 4.3 36.2 1.0 CG E:GLU136 4.4 55.6 1.0 CG2 E:VAL137 4.5 38.8 1.0 CB E:VAL137 4.6 39.4 1.0 OH B:TYR165 4.7 62.8 1.0 CA E:VAL137 4.7 37.2 1.0 CZ B:TYR165 4.9 57.8 1.0 CD B:PRO273 4.9 29.0 1.0 NH1 E:ARG131 5.0 44.3 1.0

Chlorine binding site 4 out of 15 in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 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 Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl512 b:86.7 occ:1.00 ND2 B:ASN133 3.1 47.5 0.5 OD1 B:ASN133 3.2 44.2 0.5 CG B:ASN133 3.3 52.5 0.5 NZ B:LYS134 3.7 74.5 1.0 CB B:ASN132 3.7 22.3 1.0 N B:ASN133 3.9 27.6 1.0 O B:HOH740 4.3 42.1 1.0 ND2 B:ASN133 4.3 25.4 0.5 CB B:ASN133 4.3 25.6 0.5 CG B:ASN132 4.3 33.8 1.0 CB B:ASN133 4.4 28.7 0.5 ND2 B:ASN132 4.5 28.0 1.0 CG B:ASN133 4.6 32.6 0.5 CA B:ASN132 4.6 25.4 1.0 CD B:LYS134 4.6 50.3 1.0 CA B:ASN133 4.7 27.8 0.5 CA B:ASN133 4.7 28.2 0.5 O B:HOH828 4.7 43.7 1.0 C B:ASN132 4.7 29.4 1.0 CE B:LYS134 4.7 70.4 1.0

Chlorine binding site 5 out of 15 in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl513 b:77.5 occ:1.00 NZ B:LYS84 3.3 52.9 1.0 O D:ASP24 3.7 33.5 1.0 CE B:LYS84 3.8 45.2 1.0 O D:HOH649 4.1 29.1 1.0 CB D:ASP24 4.3 35.0 1.0 O B:HOH660 4.4 31.4 1.0 CE1 D:TYR25 4.4 33.9 1.0 C D:ASP24 4.5 33.9 1.0 CZ D:TYR25 4.6 45.6 1.0 OH D:TYR25 4.7 49.3 1.0 CG D:ASP24 4.8 49.6 1.0 CA D:ASP24 4.8 31.7 1.0 CD1 D:TYR25 4.9 33.0 1.0

Chlorine binding site 6 out of 15 in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl514 b:57.1 occ:1.00 O B:HOH676 2.7 32.5 1.0 O B:HOH793 2.9 41.3 1.0 ND2 D:ASN215 3.0 29.3 1.0 N B:ALA353 3.3 22.8 1.0 N B:PHE352 3.5 22.2 1.0 CB B:ALA353 3.8 23.3 1.0 CB D:ASN215 3.9 27.0 1.0 CG D:ASN215 3.9 34.8 1.0 O B:HOH808 3.9 51.8 1.0 CL D:CL520 4.1 67.2 1.0 CA B:PHE352 4.1 21.4 1.0 C B:PHE352 4.1 26.7 1.0 CA B:ALA353 4.1 22.9 1.0 CB B:PHE352 4.1 23.0 1.0 C B:ASN351 4.1 29.2 1.0 CA B:ASN351 4.2 25.5 1.0 O B:ILE350 4.5 27.9 1.0 OD1 B:ASN351 4.5 24.4 1.0 OE2 B:GLU357 4.7 46.4 1.0 OE1 B:GLU357 4.7 45.5 1.0 N B:ASN351 4.9 26.4 1.0 C B:ILE350 4.9 29.5 1.0

Chlorine binding site 7 out of 15 in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl513 b:64.9 occ:1.00 OG1 C:THR283 3.2 34.0 1.0 N C:GLU284 3.4 28.2 1.0 CA C:THR283 3.8 28.0 1.0 O C:HOH757 3.9 38.9 1.0 CB C:THR283 4.0 32.5 1.0 O C:HOH780 4.1 40.4 1.0 C C:THR283 4.1 30.2 1.0 CB C:GLU284 4.2 31.2 1.0 NE2 C:GLN285 4.2 86.7 1.0 CG C:GLU284 4.3 48.8 1.0 CA C:GLU284 4.3 28.6 1.0 O C:HOH665 4.3 34.8 1.0 N C:GLN285 4.4 27.6 1.0 CG C:GLN285 4.6 63.2 1.0 CD C:GLU284 4.8 82.4 1.0 C C:GLU284 4.8 31.2 1.0 CD C:GLN285 4.9 98.0 1.0

Chlorine binding site 8 out of 15 in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl516 b:79.7 occ:1.00 OG1 D:THR283 3.2 36.6 1.0 N D:GLU284 3.5 31.4 1.0 CA D:THR283 3.8 26.8 1.0 O D:HOH881 3.8 54.0 1.0 CB D:THR283 3.9 33.4 1.0 O D:HOH657 4.1 31.1 1.0 C D:THR283 4.2 31.4 1.0 O D:HOH748 4.2 45.2 1.0 NE2 D:GLN285 4.3 64.0 1.0 CG D:GLU284 4.4 56.3 1.0 CB D:GLU284 4.4 35.4 1.0 CA D:GLU284 4.5 32.6 1.0 N D:GLN285 4.7 31.7 1.0 CD D:GLU284 4.8 99.6 1.0 CG D:GLN285 4.8 50.3 1.0 OE1 D:GLU284 4.8 0.3 1.0 O D:ASN282 4.9 27.0 1.0

Chlorine binding site 9 out of 15 in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl517 b:66.4 occ:1.00 O D:HOH710 2.7 35.6 1.0 O D:HOH639 3.8 26.5 1.0 OE1 D:GLN344 3.9 30.2 1.0 O D:PRO68 3.9 23.5 1.0 O D:HOH783 4.1 41.9 1.0 NH1 D:ARG418 4.5 20.4 1.0 O D:HOH665 4.5 27.7 1.0 CD D:GLN344 4.5 27.7 1.0 O D:HOH845 4.6 50.0 1.0 NE2 D:GLN344 4.9 19.2 1.0 O D:HOH772 5.0 38.5 1.0

Chlorine binding site 10 out of 15 in the Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of A Putative Peptidase (BF3526) From Bacteroides Fragilis Nctc 9343 at 2.17 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl518 b:86.9 occ:1.00 NZ D:LYS84 2.9 49.5 1.0 CE D:LYS84 4.3 52.2 1.0

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