Zinc in PDB 7uyb: Inhibitor Bound VIM1

The structure of Inhibitor Bound VIM1, PDB code: 7uyb was solved by T.O.Fischmann, G.Scapin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.25 / 1.11
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.601, 67.812, 40.177, 90, 91.61, 90
R / Rfree (%)	15.6 / 16.6

The structure of Inhibitor Bound VIM1 also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Zinc atom in the Inhibitor Bound VIM1 (pdb code 7uyb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Inhibitor Bound VIM1, PDB code: 7uyb:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Inhibitor Bound VIM1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Inhibitor Bound VIM1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:9.3 occ:1.00 NE2 A:HIS179 2.0 8.8 1.0 N5 A:OK0303 2.0 9.3 1.0 NE2 A:HIS114 2.0 8.4 1.0 ND1 A:HIS116 2.0 9.3 1.0 S A:OK0303 2.9 10.0 1.0 CD2 A:HIS179 3.0 8.8 1.0 CE1 A:HIS179 3.0 9.3 1.0 O A:OK0303 3.0 10.9 1.0 CE1 A:HIS114 3.0 8.3 1.0 CG A:HIS116 3.0 9.4 1.0 CD2 A:HIS114 3.0 8.5 1.0 CE1 A:HIS116 3.0 10.8 1.0 CB A:HIS116 3.3 8.7 1.0 O1 A:OK0303 3.5 11.7 1.0 OD1 A:ASP118 4.0 9.3 1.0 CG A:HIS179 4.1 9.0 1.0 ND1 A:HIS114 4.1 8.6 1.0 ND1 A:HIS179 4.1 9.5 1.0 CG A:HIS114 4.1 8.5 1.0 NE2 A:HIS116 4.2 11.9 1.0 CD2 A:HIS116 4.2 11.5 1.0 ZN A:ZN302 4.2 9.7 1.0 N4 A:OK0303 4.2 8.8 1.0 CB A:CYS198 4.3 8.3 1.0 SG A:CYS198 4.4 9.2 1.0 C14 A:OK0303 4.5 11.4 1.0 C13 A:OK0303 4.6 10.1 1.0 N3 A:OK0303 4.6 9.5 1.0 CA A:HIS116 4.7 8.5 1.0 OD2 A:ASP118 4.8 10.3 1.0 CG A:ASP118 4.8 9.0 1.0 F A:OK0303 4.9 11.6 1.0 N A:HIS116 5.0 8.1 1.0

Zinc binding site 2 out of 2 in the Inhibitor Bound VIM1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Inhibitor Bound VIM1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:9.7 occ:1.00 OD2 A:ASP118 1.9 10.3 1.0 N4 A:OK0303 2.0 8.8 1.0 NE2 A:HIS240 2.1 8.9 1.0 SG A:CYS198 2.3 9.2 1.0 N3 A:OK0303 2.9 9.5 1.0 N5 A:OK0303 3.0 9.3 1.0 CG A:ASP118 3.0 9.0 1.0 CE1 A:HIS240 3.1 9.1 1.0 CD2 A:HIS240 3.1 9.5 1.0 C13 A:OK0303 3.1 10.1 1.0 CB A:CYS198 3.5 8.3 1.0 OD1 A:ASP118 3.5 9.3 1.0 C12 A:OK0303 3.6 11.2 1.0 C14 A:OK0303 3.9 11.4 1.0 S A:OK0303 4.0 10.0 1.0 NH2 A:ARG119 4.0 14.7 1.0 N2 A:OK0303 4.1 9.9 1.0 ZN A:ZN301 4.2 9.3 1.0 ND1 A:HIS240 4.2 9.3 1.0 CG A:HIS240 4.2 9.5 1.0 N1 A:OK0303 4.2 11.0 1.0 CB A:ASP118 4.3 9.7 1.0 NE A:ARG119 4.4 10.0 1.0 O A:OK0303 4.5 10.9 1.0 C11 A:OK0303 4.5 13.2 1.0 C1 A:OK0303 4.5 14.0 1.0 O A:HOH545 4.6 11.2 1.0 CZ A:ARG119 4.6 10.1 1.0 CA A:CYS198 4.7 8.4 1.0 NE2 A:HIS179 4.7 8.8 1.0 CE1 A:HIS114 4.7 8.3 1.0 CE1 A:HIS179 4.8 9.3 1.0 C15 A:OK0303 4.8 13.6 1.0 NE2 A:HIS114 4.9 8.4 1.0 C A:OK0303 5.0 13.5 1.0

T.O.Fischmann, G.Scapin. Inhibitor Bound VIM1 To Be Published.