Zinc in PDB 4ua4: Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor

The structure of Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor, PDB code: 4ua4 was solved by J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.68 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.888, 61.404, 68.918, 90.00, 100.87, 90.00
R / Rfree (%)	14.4 / 16.4

The binding sites of Zinc atom in the Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor (pdb code 4ua4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor, PDB code: 4ua4:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:9.9 occ:1.00 O A:HOH468 1.9 11.0 1.0 ND1 A:HIS114 2.0 9.9 1.0 NE2 A:HIS177 2.0 9.0 1.0 NE2 A:HIS112 2.0 8.8 1.0 CE1 A:HIS114 3.0 10.7 1.0 CD2 A:HIS177 3.0 8.8 1.0 CE1 A:HIS112 3.0 9.8 1.0 CD2 A:HIS112 3.0 9.1 1.0 CE1 A:HIS177 3.0 10.0 1.0 CG A:HIS114 3.0 9.7 1.0 CB A:HIS114 3.4 9.0 1.0 ZN A:ZN302 3.5 10.0 1.0 OD1 A:ASP116 3.8 12.5 1.0 CB A:CYS196 4.0 9.7 1.0 NE2 A:HIS114 4.1 10.6 1.0 ND1 A:HIS112 4.1 9.0 1.0 ND1 A:HIS177 4.2 9.0 1.0 CG A:HIS177 4.2 8.6 1.0 CD2 A:HIS114 4.2 9.7 1.0 CG A:HIS112 4.2 8.2 1.0 SG A:CYS196 4.3 10.2 1.0 S01 A:3C7304 4.5 14.8 0.5 OD2 A:ASP116 4.5 11.1 1.0 S01 A:3C7305 4.5 15.3 0.5 CG A:ASP116 4.6 9.4 1.0 CA A:HIS114 4.9 9.1 1.0 S04 A:3C7305 4.9 22.0 0.5 S04 A:3C7305 5.0 22.7 0.5

Zinc binding site 2 out of 4 in the Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:10.0 occ:1.00 OD2 A:ASP116 2.0 11.1 1.0 O A:HOH468 2.0 11.0 1.0 NE2 A:HIS238 2.1 9.4 1.0 SG A:CYS196 2.3 10.2 1.0 CG A:ASP116 3.0 9.4 1.0 CE1 A:HIS238 3.0 10.1 1.0 CD2 A:HIS238 3.1 9.6 1.0 CB A:CYS196 3.3 9.7 1.0 OD1 A:ASP116 3.3 12.5 1.0 ZN A:ZN301 3.5 9.9 1.0 NH2 A:ARG117 3.7 12.2 1.0 NE A:ARG117 3.8 10.6 1.0 CZ A:ARG117 4.1 10.4 1.0 C02 A:3C7304 4.1 19.2 0.5 CE1 A:HIS112 4.1 9.8 1.0 ND1 A:HIS238 4.2 9.0 1.0 CG A:HIS238 4.2 9.1 1.0 NE2 A:HIS112 4.3 8.8 1.0 CB A:ASP116 4.3 10.7 1.0 S01 A:3C7304 4.3 14.8 0.5 C08 A:3C7304 4.5 15.8 0.5 NE2 A:HIS177 4.5 9.0 1.0 C03 A:3C7304 4.6 17.0 0.5 C08 A:3C7304 4.6 13.6 0.5 CA A:CYS196 4.6 9.0 1.0 S01 A:3C7305 4.7 15.3 0.5 O A:HOH473 4.7 10.8 1.0 C03 A:3C7304 4.7 14.1 0.5 CE1 A:HIS177 4.9 10.0 1.0 CD A:ARG117 4.9 10.0 1.0 C02 A:3C7304 5.0 15.0 0.5 OG A:SER67 5.0 11.7 1.0

Zinc binding site 3 out of 4 in the Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:10.4 occ:0.75 OD2 B:ASP116 2.0 12.7 1.0 NE2 B:HIS238 2.1 10.9 1.0 S01 B:3C7301 2.3 14.6 0.6 SG B:CYS196 2.3 12.3 1.0 CG B:ASP116 3.0 10.9 1.0 CE1 B:HIS238 3.1 10.4 1.0 CD2 B:HIS238 3.1 11.8 1.0 OD1 B:ASP116 3.3 13.8 1.0 CB B:CYS196 3.4 12.3 1.0 S01 B:3C7301 3.4 26.3 0.3 C03 B:3C7301 3.7 25.7 0.6 C02 B:3C7301 3.7 23.1 0.6 NH2 B:ARG117 3.8 16.1 1.0 ZN B:ZN303 3.8 12.3 1.0 NE B:ARG117 3.9 12.2 1.0 ND1 B:HIS238 4.2 10.1 1.0 C08 B:3C7301 4.2 26.1 0.6 CZ B:ARG117 4.2 12.6 1.0 CE1 B:HIS112 4.2 10.5 1.0 CG B:HIS238 4.2 10.6 1.0 CB B:ASP116 4.3 11.0 1.0 N07 B:3C7301 4.4 28.1 0.6 C08 B:3C7301 4.4 21.5 0.3 C02 B:3C7301 4.5 21.4 0.3 NE2 B:HIS112 4.5 10.8 1.0 C03 B:3C7301 4.6 23.7 0.3 CA B:CYS196 4.6 11.3 1.0 NE2 B:HIS177 4.7 10.8 1.0 O B:HOH482 4.7 14.6 1.0 CE1 B:HIS177 4.9 11.6 1.0 N07 B:3C7301 5.0 23.4 0.3

Zinc binding site 4 out of 4 in the Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of the Vim-2 Metallo-Beta-Lactamase in Complex with A Bisthiazolidine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn303 b:12.3 occ:1.00 ND1 B:HIS114 2.0 12.2 1.0 NE2 B:HIS177 2.0 10.8 1.0 NE2 B:HIS112 2.0 10.8 1.0 S01 B:3C7301 2.3 14.6 0.6 CE1 B:HIS114 2.9 13.7 1.0 CD2 B:HIS177 3.0 10.8 1.0 CE1 B:HIS177 3.0 11.6 1.0 CE1 B:HIS112 3.0 10.5 1.0 CG B:HIS114 3.0 11.9 1.0 CD2 B:HIS112 3.0 10.7 1.0 CB B:HIS114 3.4 10.5 1.0 C02 B:3C7301 3.4 23.1 0.6 ZN B:ZN302 3.8 10.4 0.8 S01 B:3C7301 3.9 26.3 0.3 OD1 B:ASP116 4.0 13.8 1.0 NE2 B:HIS114 4.1 14.7 1.0 ND1 B:HIS177 4.1 11.8 1.0 ND1 B:HIS112 4.1 9.6 1.0 CD2 B:HIS114 4.1 13.1 1.0 CB B:CYS196 4.1 12.3 1.0 CG B:HIS177 4.1 11.0 1.0 CG B:HIS112 4.2 9.2 1.0 SG B:CYS196 4.4 12.3 1.0 C03 B:3C7301 4.7 25.7 0.6 OD2 B:ASP116 4.7 12.7 1.0 CG B:ASP116 4.8 10.9 1.0 CA B:HIS114 4.8 9.7 1.0

J.Spencer, J.Spencer. N/A N/A.