Chlorine in PDB 6tmb: Vim-2_1DI-Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases

The structure of Vim-2_1DI-Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases, PDB code: 6tmb was solved by H.-K.S.Leiros, T.Christopeit, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.60 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.590, 79.026, 67.235, 90.00, 130.09, 90.00
R / Rfree (%)	13.9 / 16.8

The structure of Vim-2_1DI-Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases also contains other interesting chemical elements:

Zinc	(Zn)	6 atoms
Iodine	(I)	1 atom

The binding sites of Chlorine atom in the Vim-2_1DI-Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases (pdb code 6tmb). 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-2_1DI-Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases, PDB code: 6tmb:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Vim-2_1DI-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-2_1DI-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:40.5 occ:1.00 ZN A:ZN403 2.2 17.9 1.0 O A:HOH753 3.1 22.5 1.0 HB2 A:ALA135 3.3 16.9 1.0 HA A:ALA135 3.3 16.2 1.0 NE2 A:HIS170 3.5 19.1 1.0 HB1 A:ALA135 3.6 16.9 1.0 CL A:CL406 3.6 43.6 1.0 CB A:ALA135 3.8 14.1 1.0 CA A:ALA135 4.0 13.5 1.0 HD2 A:HIS170 4.0 21.7 1.0 CD2 A:HIS170 4.2 18.1 1.0 HG21 A:THR169 4.3 20.8 1.0 O A:HOH590 4.4 13.7 1.0 CE1 A:HIS170 4.6 20.4 1.0 HB3 A:ALA135 4.7 16.9 1.0 N A:ALA135 4.7 13.3 1.0 HE1 A:HIS170 4.8 24.4 1.0 H A:THR136 4.8 14.3 1.0 O A:VAL134 4.9 16.1 1.0

Chlorine binding site 2 out of 4 in the Vim-2_1DI-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-2_1DI-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:43.6 occ:1.00 ZN A:ZN403 2.3 17.9 1.0 O A:HOH569 2.6 38.4 1.0 HB2 A:ALA135 3.3 16.9 1.0 HB1 A:ALA135 3.5 16.9 1.0 HE1 A:HIS170 3.5 24.4 1.0 NE2 A:HIS170 3.5 19.1 1.0 CL A:CL405 3.6 40.5 1.0 CE1 A:HIS170 3.8 20.4 1.0 CB A:ALA135 3.8 14.1 1.0 HB3 A:ALA135 4.2 16.9 1.0 CD2 A:HIS170 4.6 18.1 1.0 OH A:TYR137 4.7 19.4 1.0 ND1 A:HIS170 4.9 20.7 1.0

Chlorine binding site 3 out of 4 in the Vim-2_1DI-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-2_1DI-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:19.7 occ:1.00 ZN B:ZN404 2.2 15.2 1.0 HA B:ALA135 3.0 13.8 1.0 HB2 B:ALA135 3.3 15.0 1.0 HB1 B:ALA135 3.3 15.0 1.0 NE2 B:HIS170 3.4 13.6 1.0 HG21 B:THR169 3.5 18.3 1.0 HD2 B:HIS170 3.5 15.3 1.0 CL B:CL407 3.6 41.8 1.0 CB B:ALA135 3.6 12.5 1.0 CA B:ALA135 3.7 11.5 1.0 CD2 B:HIS170 3.8 12.7 1.0 O B:HOH599 4.2 13.2 1.0 HB B:THR169 4.2 17.0 1.0 H B:THR136 4.3 14.3 1.0 HG1 B:THR169 4.3 19.4 1.0 CG2 B:THR169 4.4 15.3 1.0 HB3 B:ALA135 4.6 15.0 1.0 CE1 B:HIS170 4.6 15.5 1.0 HG22 B:THR169 4.6 18.3 1.0 N B:ALA135 4.7 12.5 1.0 CB B:THR169 4.7 14.2 1.0 C B:ALA135 4.8 11.3 1.0 N B:THR136 4.8 11.9 1.0 O B:HOH580 4.9 62.4 1.0 HE1 B:HIS170 4.9 18.6 1.0 OG1 B:THR169 5.0 16.2 1.0 O B:VAL134 5.0 13.9 1.0

Chlorine binding site 4 out of 4 in the Vim-2_1DI-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-2_1DI-Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl407 b:41.8 occ:1.00 O B:HOH580 2.1 62.4 1.0 ZN B:ZN404 2.2 15.2 1.0 O B:HOH762 2.2 50.3 1.0 HB2 B:ALA135 3.3 15.0 1.0 NE2 B:HIS170 3.5 13.6 1.0 HB1 B:ALA135 3.5 15.0 1.0 CL B:CL406 3.6 19.7 1.0 CB B:ALA135 3.8 12.5 1.0 CE1 B:HIS170 4.2 15.5 1.0 HE1 B:HIS170 4.2 18.6 1.0 HB3 B:ALA135 4.3 15.0 1.0 CD2 B:HIS170 4.4 12.7 1.0 OH B:TYR137 4.4 22.7 1.0 HD2 B:HIS170 4.5 15.3 1.0 HH B:TYR137 4.6 27.2 1.0 O B:HOH634 4.6 40.8 1.0 O B:HOH792 5.0 33.9 1.0

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