Iodine 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
Chlorine	(Cl)	4 atoms

The binding sites of Iodine 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 Iodine atom.
In total only one binding site of Iodine was determined in the Vim-2_1DI-Triazole Inhibitors with Promising Inhibitor Effects Against Antibiotic Resistance Metallo-Beta-Lactamases, PDB code: 6tmb:

Iodine binding site 1 out of 1 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 Iodine with other atoms in the I 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 B:I408 b:38.2 occ:0.66 H151 B:9OB401 2.1 56.7 0.8 C15 B:9OB401 2.9 47.2 0.8 HA3 A:GLY63 3.0 35.6 1.0 OE2 B:GLU225 3.0 18.6 1.0 HB3 B:HIS263 3.2 16.2 1.0 H161 B:9OB401 3.2 56.4 0.8 HD2 B:ARG228 3.3 26.8 0.6 HB2 B:HIS263 3.3 16.2 1.0 C16 B:9OB401 3.5 47.0 0.8 HD2 B:PRO68 3.5 20.2 1.0 CB B:HIS263 3.7 13.5 1.0 O A:GLY63 3.7 31.7 1.0 HG2 B:GLU225 3.7 16.6 1.0 CA A:GLY63 3.8 29.7 1.0 C A:GLY63 3.9 29.2 1.0 C14 B:9OB401 3.9 47.4 0.8 O A:ASP62 3.9 34.3 1.0 O B:HOH544 3.9 14.0 1.0 H141 B:9OB401 4.0 56.9 0.8 HG2 B:PRO68 4.0 21.7 1.0 O B:HIS263 4.0 13.4 1.0 O A:HOH521 4.0 21.5 1.0 CD B:GLU225 4.1 17.0 1.0 HB2 B:ARG228 4.1 22.4 0.4 HD3 B:ARG228 4.1 26.9 0.4 CD B:ARG228 4.2 22.3 0.6 C B:HIS263 4.2 13.3 1.0 HD2 B:TYR67 4.2 24.6 1.0 HB2 B:ARG228 4.2 22.3 0.6 HE B:ARG228 4.2 26.9 0.4 HA3 B:GLY264 4.3 16.9 1.0 NE B:ARG228 4.3 22.4 0.4 CD B:PRO68 4.3 16.9 1.0 HA2 A:GLY63 4.3 35.6 1.0 HD3 B:ARG228 4.4 26.8 0.6 CG B:GLU225 4.4 13.8 1.0 CG B:PRO68 4.4 18.1 1.0 HH21 B:ARG228 4.4 27.2 0.6 HG3 B:PRO68 4.5 21.7 1.0 CA B:HIS263 4.6 13.4 1.0 N A:ALA64 4.6 25.9 1.0 HD3 B:PRO68 4.6 20.2 1.0 CZ B:ARG228 4.6 22.8 0.4 HH21 B:ARG228 4.7 25.9 0.4 N B:GLY264 4.7 13.2 1.0 CD B:ARG228 4.7 22.4 0.4 C12 B:9OB401 4.8 47.0 0.8 CG B:HIS263 4.8 12.4 1.0 C A:ASP62 4.8 32.0 1.0 NH2 B:ARG228 4.8 21.6 0.4 N A:GLY63 4.8 30.0 1.0 CA B:GLY264 4.8 14.1 1.0 HG3 B:ARG228 4.9 25.4 0.6 HA2 B:GLY264 4.9 16.9 1.0 HG3 B:GLU225 4.9 16.6 1.0 H A:ALA64 5.0 31.1 1.0 NH2 B:ARG228 5.0 22.7 0.6 NE B:ARG228 5.0 24.2 0.6

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