Zinc in PDB 6li4: Crystal Structure of Mcr-1-S

The structure of Crystal Structure of Mcr-1-S, PDB code: 6li4 was solved by Q.Zhang, M.Wang, H.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.29 / 1.78
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.970, 84.180, 81.400, 90.00, 98.76, 90.00
R / Rfree (%)	19.1 / 23

The binding sites of Zinc atom in the Crystal Structure of Mcr-1-S (pdb code 6li4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Mcr-1-S, PDB code: 6li4:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Mcr-1-S


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Mcr-1-S within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:30.8 occ:1.00 OD2 A:ASP465 1.8 37.8 1.0 OE2 A:GLU246 2.0 31.8 1.0 OG1 A:TPO285 2.0 44.9 1.0 NE2 A:HIS466 2.3 25.6 1.0 OE1 A:GLU246 2.4 33.7 1.0 CD A:GLU246 2.5 30.2 1.0 O2P A:TPO285 2.5 44.0 1.0 P A:TPO285 2.8 46.7 1.0 CG A:ASP465 2.8 32.0 1.0 CD2 A:HIS466 3.0 29.2 1.0 OD1 A:ASP465 3.2 35.1 1.0 CE1 A:HIS466 3.3 27.0 1.0 CB A:TPO285 3.3 40.4 1.0 CA A:TPO285 3.7 37.6 1.0 N A:TPO285 3.7 37.2 1.0 O1P A:TPO285 3.8 39.0 1.0 O3P A:TPO285 4.0 39.8 1.0 CG2 A:TPO285 4.0 39.1 1.0 CG A:GLU246 4.0 20.6 1.0 CG A:HIS466 4.1 23.8 1.0 O A:HOH750 4.1 34.3 1.0 CB A:ASP465 4.2 30.9 1.0 ND1 A:HIS466 4.2 27.0 1.0 OG1 A:THR247 4.3 30.9 1.0 NE2 A:HIS478 4.3 34.0 1.0 C A:SER284 4.4 40.3 1.0 N A:THR247 4.6 26.9 1.0 CA A:GLU246 4.7 23.4 1.0 CB A:GLU246 4.7 23.3 1.0 CE1 A:HIS478 4.8 34.5 1.0 CD2 A:HIS478 4.9 30.4 1.0 NE2 A:HIS395 4.9 53.1 1.0 CD2 A:HIS395 4.9 50.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Mcr-1-S


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Mcr-1-S within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:33.0 occ:1.00 OD2 B:ASP465 1.9 28.1 1.0 OE2 B:GLU246 2.1 33.1 1.0 NE2 B:HIS466 2.1 30.7 1.0 OG1 B:TPO285 2.2 39.2 1.0 O2P B:TPO285 2.3 37.4 1.0 OE1 B:GLU246 2.5 32.7 1.0 CD B:GLU246 2.6 26.6 1.0 P B:TPO285 2.8 40.2 1.0 CG B:ASP465 2.9 29.0 1.0 CE1 B:HIS466 3.0 29.6 1.0 CD2 B:HIS466 3.0 30.8 1.0 OD1 B:ASP465 3.3 27.6 1.0 CB B:TPO285 3.4 38.5 1.0 N B:TPO285 3.7 29.2 1.0 CA B:TPO285 3.8 27.9 1.0 O1P B:TPO285 3.8 48.7 1.0 O3P B:TPO285 4.0 51.2 1.0 ND1 B:HIS466 4.0 29.1 1.0 O B:HOH759 4.0 26.9 1.0 CG B:HIS466 4.1 30.6 1.0 CG B:GLU246 4.1 22.7 1.0 CG2 B:TPO285 4.2 37.8 1.0 OG1 B:THR247 4.2 25.4 1.0 CB B:ASP465 4.3 34.8 1.0 C B:SER284 4.4 36.6 1.0 NE2 B:HIS478 4.5 41.8 1.0 N B:THR247 4.5 28.5 1.0 CA B:GLU246 4.7 22.1 1.0 CE1 B:HIS478 4.7 37.7 1.0 CB B:GLU246 4.8 28.8 1.0 NE2 B:HIS395 4.8 52.5 1.0 CD2 B:HIS395 4.9 49.8 1.0 O B:SER284 5.0 41.8 1.0

H.Sun, Q.Zhang, R.Wang, H.Wang, Y.T.Wong, M.Wang, Q.Hao, A.Yan, R.Y.Kao, P.L.Ho, H.Li. Resensitizing Carbapenem- and Colistin-Resistant Bacteria to Antibiotics Using Auranofin. Nat Commun V. 11 5263 2020.
ISSN: ESSN 2041-1723
PubMed: 33067430
DOI: 10.1038/S41467-020-18939-Y