Zinc in PDB 5mx9: High Resolution Crystal Structure of the Mcr-2 Catalytic Domain

The structure of High Resolution Crystal Structure of the Mcr-2 Catalytic Domain, PDB code: 5mx9 was solved by P.Hinchliffe, K.Coates, T.R.Walsh, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.55 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.818, 53.310, 117.509, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 14.5

The binding sites of Zinc atom in the High Resolution Crystal Structure of the Mcr-2 Catalytic Domain (pdb code 5mx9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the High Resolution Crystal Structure of the Mcr-2 Catalytic Domain, PDB code: 5mx9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the High Resolution Crystal Structure of the Mcr-2 Catalytic Domain


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of High Resolution Crystal Structure of the Mcr-2 Catalytic Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:10.8 occ:1.00 O A:HOH715 1.9 12.0 1.0 NE2 A:HIS478 1.9 8.1 1.0 NE2 A:HIS395 2.0 10.1 1.0 CE1 A:HIS478 2.8 8.2 1.0 CE1 A:HIS395 2.9 11.5 1.0 HE1 A:HIS478 3.0 9.8 1.0 CD2 A:HIS478 3.0 7.6 1.0 CD2 A:HIS395 3.0 10.4 1.0 HE1 A:HIS395 3.1 13.8 1.0 HD2 A:HIS395 3.3 12.5 1.0 HD2 A:HIS478 3.3 9.1 1.0 H A:THR285 3.9 9.8 1.0 OG1 A:THR285 3.9 9.6 1.0 ND1 A:HIS478 4.0 8.2 1.0 ND1 A:HIS395 4.0 10.9 1.0 HE1 A:HIS466 4.1 9.1 1.0 CG A:HIS395 4.1 9.3 1.0 CG A:HIS478 4.1 7.2 1.0 HB2 A:SER284 4.2 10.1 1.0 O A:HOH831 4.4 14.6 1.0 HA A:SER284 4.4 9.4 1.0 O A:HOH1015 4.4 11.2 1.0 ZN A:ZN602 4.4 10.2 1.0 NE2 A:HIS466 4.5 7.9 1.0 CE1 A:HIS466 4.5 7.6 1.0 OE2 A:GLU246 4.6 9.1 1.0 N A:THR285 4.7 8.2 1.0 HD1 A:HIS478 4.8 9.8 1.0 HB A:THR285 4.8 10.9 1.0 HD1 A:HIS395 4.8 13.1 1.0 CB A:THR285 4.9 9.1 1.0

Zinc binding site 2 out of 2 in the High Resolution Crystal Structure of the Mcr-2 Catalytic Domain


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of High Resolution Crystal Structure of the Mcr-2 Catalytic Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:10.2 occ:1.00 OE2 A:GLU246 1.9 9.1 1.0 OG1 A:THR285 1.9 9.6 1.0 OD2 A:ASP465 1.9 8.3 1.0 NE2 A:HIS466 2.0 7.9 1.0 CD A:GLU246 2.6 8.8 1.0 OE1 A:GLU246 2.6 10.9 1.0 CG A:ASP465 2.8 8.0 1.0 CD2 A:HIS466 2.9 7.3 1.0 OD1 A:ASP465 2.9 8.0 1.0 CE1 A:HIS466 3.0 7.6 1.0 CB A:THR285 3.1 9.1 1.0 HD2 A:HIS466 3.1 8.8 1.0 HA A:THR285 3.2 10.1 1.0 H A:THR285 3.2 9.8 1.0 HE1 A:HIS466 3.2 9.1 1.0 N A:THR285 3.3 8.2 1.0 HG23 A:THR285 3.4 11.4 1.0 CA A:THR285 3.4 8.4 1.0 HD2 A:HIS395 3.5 12.5 1.0 O A:HOH715 3.6 12.0 1.0 HG1 A:THR247 3.7 10.3 1.0 CG2 A:THR285 3.7 9.5 1.0 HB A:THR285 3.8 10.9 1.0 HA A:GLU246 3.9 9.1 1.0 HG21 A:THR285 3.9 11.4 1.0 ND1 A:HIS466 4.0 7.1 1.0 CG A:HIS466 4.0 7.7 1.0 CG A:GLU246 4.0 9.1 1.0 O A:HOH831 4.1 14.6 1.0 H A:THR247 4.1 7.9 1.0 C A:SER284 4.1 7.7 1.0 O A:HOH747 4.1 11.1 1.0 HA A:SER284 4.1 9.4 1.0 CB A:ASP465 4.2 9.3 1.0 OG1 A:THR247 4.2 8.6 1.0 HG3 A:GLU246 4.3 10.9 1.0 CD2 A:HIS395 4.3 10.4 1.0 HB2 A:ASP465 4.3 11.1 1.0 HD21 A:ASN329 4.4 14.3 1.0 ZN A:ZN601 4.4 10.8 1.0 NE2 A:HIS478 4.5 8.1 1.0 HG2 A:GLU246 4.6 10.9 1.0 HG22 A:THR285 4.6 11.4 1.0 N A:THR247 4.6 6.6 1.0 HB3 A:ASP465 4.6 11.1 1.0 CA A:GLU246 4.7 7.6 1.0 CA A:SER284 4.7 7.9 1.0 O A:SER284 4.7 8.0 1.0 HD1 A:HIS466 4.8 8.5 1.0 NE2 A:HIS395 4.8 10.1 1.0 CB A:GLU246 4.8 7.8 1.0 HB2 A:GLU246 4.9 9.4 1.0 C A:THR285 4.9 7.4 1.0 CE1 A:HIS478 5.0 8.2 1.0 CD2 A:HIS478 5.0 7.6 1.0

K.Coates, T.R.Walsh, J.Spencer, P.Hinchliffe. 1.12 Angstrom Resolution Crystal Structure of the Catalytic Domain of the Plasmid-Mediated Colistin Resistance Determinant Mcr-2. Acta Crystallogr F Struct V. 73 443 2017BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 28777086
DOI: 10.1107/S2053230X17009669