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

Protein crystallography data

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

Other elements in 6tmb:

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

Iodine Binding Sites:

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 6tmb

Go back to Iodine Binding Sites List in 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

Reference:

H.-K.S.Leiros, H.-K.S.Leiros, T.Christopeit. N/A N/A.
Page generated: Mon Aug 12 00:19:56 2024

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