Chlorine in PDB 6tma: Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases

The structure of Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases, PDB code: 6tma was solved by H.-K.S.Leiros, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.63 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.275, 79.269, 67.688, 90.00, 130.35, 90.00
R / Rfree (%)	15.6 / 19.4

The structure of Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases also contains other interesting chemical elements:

Zinc	(Zn)	6 atoms
Iodine	(I)	2 atoms

The binding sites of Chlorine atom in the Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases (pdb code 6tma). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases, PDB code: 6tma:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:48.5 occ:1.00 ZN A:ZN403 2.0 22.2 1.0 O A:HOH745 2.2 46.6 1.0 O A:HOH737 3.2 26.1 1.0 NE2 A:HIS170 3.2 22.1 1.0 HA A:ALA135 3.4 23.2 1.0 HB2 A:ALA135 3.5 20.9 1.0 CL A:CL406 3.6 35.1 1.0 HD2 A:HIS170 3.7 24.0 1.0 HB1 A:ALA135 3.7 20.9 1.0 CD2 A:HIS170 3.9 20.0 1.0 CB A:ALA135 4.0 17.4 1.0 HG21 A:THR169 4.0 30.9 1.0 CA A:ALA135 4.1 19.4 1.0 O A:HOH665 4.3 23.7 1.0 CE1 A:HIS170 4.3 23.1 1.0 O A:HOH596 4.4 17.0 1.0 HE1 A:HIS170 4.6 27.7 1.0 HB A:THR169 4.7 25.2 1.0 H A:THR136 4.7 18.8 1.0 CG2 A:THR169 4.8 25.8 1.0 HG22 A:THR169 4.8 30.9 1.0 HB3 A:ALA135 4.9 20.9 1.0 N A:ALA135 5.0 17.4 1.0

Chlorine binding site 2 out of 4 in the Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:35.1 occ:1.00 ZN A:ZN403 2.3 22.2 1.0 O A:HOH566 2.8 38.7 1.0 HB2 A:ALA135 3.3 20.9 1.0 NE2 A:HIS170 3.5 22.1 1.0 HE1 A:HIS170 3.6 27.7 1.0 HB1 A:ALA135 3.6 20.9 1.0 CL A:CL405 3.6 48.5 1.0 CE1 A:HIS170 3.8 23.1 1.0 CB A:ALA135 3.9 17.4 1.0 HB3 A:ALA135 4.3 20.9 1.0 CD2 A:HIS170 4.5 20.0 1.0 OH A:TYR137 4.7 22.4 1.0 ND1 A:HIS170 4.9 24.5 1.0 HD2 A:HIS170 4.9 24.0 1.0

Chlorine binding site 3 out of 4 in the Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:30.0 occ:1.00 ZN B:ZN403 2.1 19.5 1.0 HA B:ALA135 3.0 19.5 1.0 HB2 B:ALA135 3.2 22.9 1.0 HB1 B:ALA135 3.3 22.9 1.0 CL B:CL406 3.4 44.9 1.0 NE2 B:HIS170 3.4 18.3 1.0 HD2 B:HIS170 3.6 18.2 1.0 CB B:ALA135 3.6 19.1 1.0 HG21 B:THR169 3.7 22.6 1.0 CA B:ALA135 3.8 16.2 1.0 CD2 B:HIS170 3.8 15.1 1.0 O B:HOH572 4.2 17.4 1.0 HB B:THR169 4.4 20.2 1.0 H B:THR136 4.4 19.2 1.0 HG1 B:THR169 4.4 24.7 1.0 CG2 B:THR169 4.5 18.8 1.0 HB3 B:ALA135 4.5 22.9 1.0 CE1 B:HIS170 4.6 21.2 1.0 N B:ALA135 4.7 16.5 1.0 O B:HOH538 4.7 31.1 1.0 HG22 B:THR169 4.7 22.6 1.0 C B:ALA135 4.8 17.3 1.0 CB B:THR169 4.9 16.8 1.0 N B:THR136 4.9 16.0 1.0 HE1 B:HIS170 4.9 25.4 1.0 O B:VAL134 4.9 18.4 1.0

Chlorine binding site 4 out of 4 in the Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Vim-1_1DJ- Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:44.9 occ:1.00 ZN B:ZN403 2.0 19.5 1.0 HB2 B:ALA135 3.2 22.9 1.0 NE2 B:HIS170 3.4 18.3 1.0 CL B:CL405 3.4 30.0 1.0 HB1 B:ALA135 3.4 22.9 1.0 CB B:ALA135 3.8 19.1 1.0 CE1 B:HIS170 4.1 21.2 1.0 HE1 B:HIS170 4.2 25.4 1.0 CD2 B:HIS170 4.2 15.1 1.0 HB3 B:ALA135 4.2 22.9 1.0 HD2 B:HIS170 4.3 18.2 1.0 OH B:TYR137 4.3 28.0 1.0 HH B:TYR137 4.5 33.6 1.0 HA B:ALA135 4.9 19.5 1.0

H.-K.S.Leiros, H.-K.S.Leiros. N/A N/A.