Zinc in PDB 5lrn: Structure of Mono-Zinc Mcr-1 in P21 Space Group

The structure of Structure of Mono-Zinc Mcr-1 in P21 Space Group, PDB code: 5lrn was solved by P.Hinchliffe, N.G.Paterson, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.56 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.200, 82.330, 81.740, 90.00, 104.42, 90.00
R / Rfree (%)	16.5 / 18.9

The binding sites of Zinc atom in the Structure of Mono-Zinc Mcr-1 in P21 Space Group (pdb code 5lrn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Mono-Zinc Mcr-1 in P21 Space Group, PDB code: 5lrn:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Mono-Zinc Mcr-1 in P21 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Mono-Zinc Mcr-1 in P21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:12.8 occ:1.00 OE2 A:GLU246 1.9 13.9 1.0 OD1 A:ASP465 2.0 14.6 1.0 NE2 A:HIS466 2.1 12.6 1.0 O2P A:TPO285 2.1 17.4 1.0 OG1 A:TPO285 2.4 13.9 1.0 CD A:GLU246 2.5 13.8 1.0 OE1 A:GLU246 2.6 16.9 1.0 P A:TPO285 2.9 16.9 1.0 CG A:ASP465 2.9 10.1 1.0 CE1 A:HIS466 2.9 16.0 1.0 CD2 A:HIS466 3.0 10.9 1.0 OD2 A:ASP465 3.1 9.5 1.0 CB A:TPO285 3.6 12.1 1.0 N A:TPO285 3.8 10.8 1.0 O3P A:TPO285 3.9 19.9 1.0 CA A:TPO285 4.0 9.3 1.0 OG1 A:THR247 4.0 13.6 1.0 ND1 A:HIS466 4.0 12.7 1.0 O1P A:TPO285 4.0 18.9 1.0 CG A:GLU246 4.0 13.2 1.0 CG A:HIS466 4.1 11.8 1.0 O A:HOH877 4.1 13.5 1.0 CG2 A:TPO285 4.2 12.7 1.0 NE2 A:HIS478 4.2 19.7 1.0 CB A:ASP465 4.3 11.7 1.0 C A:SER284 4.5 10.4 1.0 N A:THR247 4.5 11.5 1.0 CE1 A:HIS478 4.7 25.5 1.0 CA A:GLU246 4.7 11.1 1.0 CD2 A:HIS395 4.8 29.9 1.0 CB A:GLU246 4.8 12.0 1.0 CD2 A:HIS478 4.9 19.4 1.0 NE2 A:HIS395 4.9 34.7 1.0 CA A:SER284 5.0 11.5 1.0

Zinc binding site 2 out of 2 in the Structure of Mono-Zinc Mcr-1 in P21 Space Group


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Mono-Zinc Mcr-1 in P21 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn601 b:15.9 occ:1.00 OE2 B:GLU246 2.0 14.3 1.0 OD1 B:ASP465 2.0 15.2 1.0 NE2 B:HIS466 2.1 19.5 1.0 O2P B:TPO285 2.2 21.3 1.0 OG1 B:TPO285 2.4 20.6 1.0 CD B:GLU246 2.6 11.7 1.0 OE1 B:GLU246 2.6 13.5 1.0 CG B:ASP465 2.9 16.2 1.0 P B:TPO285 2.9 21.9 1.0 CD2 B:HIS466 3.0 13.2 1.0 CE1 B:HIS466 3.0 14.4 1.0 OD2 B:ASP465 3.1 14.2 1.0 CB B:TPO285 3.6 21.6 1.0 O1P B:TPO285 3.8 23.8 1.0 N B:TPO285 3.9 16.7 1.0 CA B:TPO285 4.0 14.7 1.0 OG1 B:THR247 4.0 18.7 1.0 O3P B:TPO285 4.0 27.3 1.0 ND1 B:HIS466 4.0 15.1 1.0 CG B:HIS466 4.0 13.5 1.0 CG B:GLU246 4.1 11.5 1.0 O B:HOH774 4.1 13.1 1.0 CG2 B:TPO285 4.2 19.7 1.0 NE2 B:HIS478 4.2 35.9 1.0 CB B:ASP465 4.3 11.3 1.0 N B:THR247 4.5 11.1 1.0 C B:SER284 4.6 21.3 1.0 CE1 B:HIS478 4.7 25.6 1.0 CD2 B:HIS395 4.7 27.4 1.0 CA B:GLU246 4.7 13.3 1.0 CB B:GLU246 4.8 14.4 1.0 CD2 B:HIS478 4.8 27.2 1.0 NE2 B:HIS395 4.9 28.5 1.0

P.Hinchliffe, Q.E.Yang, E.Portal, T.Young, H.Li, C.L.Tooke, M.J.Carvalho, N.G.Paterson, J.Brem, P.R.Niumsup, U.Tansawai, L.Lei, M.Li, Z.Shen, Y.Wang, C.J.Schofield, A.J.Mulholland, J.Shen, N.Fey, T.R.Walsh, J.Spencer. Insights Into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance From Crystal Structures of the Catalytic Domain of Mcr-1. Sci Rep V. 7 39392 2017.
ISSN: ESSN 2045-2322
PubMed: 28059088
DOI: 10.1038/SREP39392