Chlorine in PDB 4r0k: Crystal Structure of A Putative Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 A Resolution

The structure of Crystal Structure of A Putative Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 A Resolution, PDB code: 4r0k 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)	45.77 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.030, 50.570, 107.870, 90.00, 93.69, 90.00
R / Rfree (%)	15.4 / 17.7

The binding sites of Chlorine atom in the Crystal Structure of A Putative Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 A Resolution (pdb code 4r0k). 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 Putative Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 A Resolution, PDB code: 4r0k:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Putative Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 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 Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:61.9 occ:1.00 NE A:ARG299 2.9 53.1 1.0 O A:HOH675 2.9 62.4 1.0 OD1 A:ASN296 3.0 29.0 1.0 OG A:SER262 3.2 41.5 0.5 CD A:ARG299 3.4 45.2 1.0 CE2 A:PHE295 3.6 34.2 1.0 CB A:PHE249 3.9 21.6 1.0 CZ A:ARG299 3.9 66.6 1.0 O A:HOH575 3.9 40.9 1.0 CB A:HIS263 4.1 21.8 1.0 NH2 A:ARG299 4.1 45.5 1.0 CB A:ARG299 4.2 30.6 1.0 CG A:ASN296 4.2 29.5 1.0 CD2 A:PHE295 4.3 30.8 1.0 CZ A:PHE295 4.3 34.0 1.0 CB A:SER262 4.4 31.6 0.5 CG A:ARG299 4.4 41.7 1.0 CB A:SER262 4.5 32.4 0.5 N A:GLY250 4.6 26.7 1.0 C A:PHE249 4.7 28.9 1.0 CG A:PHE249 4.8 21.9 1.0 CG A:HIS263 4.8 24.6 1.0 CA A:GLY250 4.9 28.1 1.0 O A:HOH612 4.9 43.5 1.0 CA A:PHE249 4.9 22.3 1.0 ND2 A:ASN296 4.9 23.4 1.0 O A:PHE249 5.0 28.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Putative Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 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 Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:21.2 occ:1.00 O A:HOH541 3.0 24.8 1.0 NH2 A:ARG44 3.2 22.3 1.0 N B:TRP193 3.3 20.8 1.0 ND2 A:ASN42 3.3 22.7 1.0 NE A:ARG44 3.8 24.5 1.0 CA B:LEU192 3.8 18.6 1.0 CD1 A:PHE49 3.8 28.3 1.0 CB A:ASN42 3.8 23.5 1.0 CE1 A:PHE49 3.9 28.8 1.0 CD1 B:TYR191 3.9 21.9 1.0 CZ A:ARG44 3.9 30.5 1.0 C B:LEU192 4.0 22.9 1.0 CG A:ASN42 4.0 27.7 1.0 CB B:TRP193 4.1 23.0 1.0 CE1 B:TYR191 4.1 23.9 1.0 O B:TYR191 4.1 20.5 1.0 CA B:TRP193 4.3 22.1 1.0 O A:HOH567 4.3 30.8 1.0 CD1 B:LEU192 4.3 21.2 1.0 O A:HOH584 4.4 24.3 1.0 N B:LEU192 4.5 20.2 1.0 C B:TYR191 4.6 22.3 1.0 O A:HOH516 4.6 22.1 1.0 O B:HOH550 4.8 19.1 1.0 CB B:LEU192 4.9 17.7 1.0 O A:ASN42 4.9 26.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Putative Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 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 Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:63.5 occ:1.00 O B:HOH638 2.8 55.1 1.0 NE B:ARG299 3.0 43.4 1.0 OD1 B:ASN296 3.2 30.9 1.0 OG B:SER262 3.3 31.9 0.5 CD B:ARG299 3.7 41.8 1.0 CE2 B:PHE295 3.7 37.0 1.0 CB B:PHE249 3.8 25.1 1.0 O B:HOH661 3.9 45.9 1.0 CZ B:ARG299 3.9 55.5 1.0 CB B:ARG299 3.9 30.5 1.0 NH2 B:ARG299 4.0 48.2 1.0 CB B:HIS263 4.3 25.0 1.0 CZ B:PHE295 4.3 36.2 1.0 CD2 B:PHE295 4.4 33.9 1.0 CG B:ARG299 4.4 38.3 1.0 CG B:ASN296 4.4 40.7 1.0 N B:GLY250 4.4 27.9 1.0 CB B:SER262 4.4 28.8 0.5 CB B:SER262 4.6 28.6 0.5 C B:PHE249 4.6 29.6 1.0 CA B:GLY250 4.7 29.6 1.0 CG B:PHE249 4.8 24.8 1.0 CA B:PHE249 4.9 25.0 1.0 CA B:ASN296 4.9 27.5 1.0 O B:PHE249 5.0 29.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Putative Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 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 Dipeptidyl-Peptidase VI (BT_1314) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:20.5 occ:1.00 O B:HOH600 3.0 23.3 1.0 NH2 B:ARG44 3.2 23.8 1.0 ND2 B:ASN42 3.3 21.9 1.0 N A:TRP193 3.3 18.7 1.0 NE B:ARG44 3.8 21.3 1.0 CA A:LEU192 3.8 16.8 1.0 CD1 B:PHE49 3.8 26.7 1.0 CB B:ASN42 3.8 17.2 1.0 CD1 A:TYR191 3.9 21.6 1.0 CE1 B:PHE49 3.9 26.5 1.0 CZ B:ARG44 4.0 27.9 1.0 CG B:ASN42 4.0 25.2 1.0 C A:LEU192 4.0 19.8 1.0 CE1 A:TYR191 4.1 23.1 1.0 O A:TYR191 4.1 20.1 1.0 CB A:TRP193 4.1 21.1 1.0 CA A:TRP193 4.3 20.1 1.0 O A:HOH536 4.3 25.9 1.0 CD1 A:LEU192 4.4 21.4 1.0 N A:LEU192 4.5 16.3 1.0 O B:HOH564 4.5 21.1 1.0 C A:TYR191 4.5 20.2 1.0 O B:HOH507 4.6 19.6 1.0 O A:HOH511 4.7 17.3 1.0 O B:ASN42 4.9 23.1 1.0 CB A:LEU192 4.9 17.6 1.0

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