Zinc in PDB 6sut: Crystal Structure of Phosphothreonine Mcr-2

The structure of Crystal Structure of Phosphothreonine Mcr-2, PDB code: 6sut was solved by P.Hinchliffe, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.09 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.080, 53.570, 122.669, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 15.4

The structure of Crystal Structure of Phosphothreonine Mcr-2 also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Phosphothreonine Mcr-2 (pdb code 6sut). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Phosphothreonine Mcr-2, PDB code: 6sut:

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


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 Phosphothreonine Mcr-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:15.6 occ:0.50 OE2 A:GLU246 1.8 15.7 1.0 OG1 A:TPO285 1.9 16.1 1.0 OD2 A:ASP465 2.1 11.5 1.0 NE2 A:HIS466 2.1 11.1 1.0 O1P A:TPO285 2.4 18.1 0.6 CD A:GLU246 2.5 12.9 1.0 OE1 A:GLU246 2.5 13.5 1.0 P A:TPO285 2.7 12.9 0.6 CD2 A:HIS466 3.0 10.1 1.0 CG A:ASP465 3.0 10.1 1.0 CE1 A:HIS466 3.1 9.7 1.0 HD2 A:HIS466 3.2 12.1 1.0 CB A:TPO285 3.2 14.3 1.0 HE1 A:HIS466 3.3 11.7 1.0 OD1 A:ASP465 3.3 10.4 1.0 HG1 A:THR247 3.4 14.3 1.0 H A:TPO285 3.4 12.9 1.0 HA A:TPO285 3.5 13.6 1.0 HG22 A:TPO285 3.6 15.9 1.0 N A:TPO285 3.6 10.7 1.0 O2P A:TPO285 3.7 10.8 0.6 CA A:TPO285 3.7 11.3 1.0 CG2 A:TPO285 3.8 13.3 1.0 HA A:GLU246 3.9 9.0 1.0 CG A:GLU246 4.0 9.0 1.0 O3P A:TPO285 4.0 16.0 0.6 HB A:TPO285 4.0 17.2 1.0 OG1 A:THR247 4.0 11.9 1.0 HG21 A:TPO285 4.1 15.9 1.0 H A:THR247 4.1 9.6 1.0 ND1 A:HIS466 4.1 8.6 1.0 CG A:HIS466 4.1 9.1 1.0 O A:HOH763 4.2 10.5 1.0 HG3 A:GLU246 4.2 10.8 1.0 O A:HOH711 4.3 30.7 1.0 CB A:ASP465 4.4 9.9 1.0 HA A:SER284 4.4 12.3 1.0 HB2 A:ASP465 4.4 11.9 1.0 HD21 A:ASN329 4.4 14.3 1.0 C A:SER284 4.5 10.6 1.0 HE2 A:HIS478 4.5 15.5 1.0 HG2 A:GLU246 4.5 10.8 1.0 N A:THR247 4.5 8.0 1.0 HD2 A:HIS395 4.5 54.8 1.0 CA A:GLU246 4.6 7.5 1.0 NE2 A:HIS478 4.7 12.9 1.0 CB A:GLU246 4.7 8.7 1.0 O A:HOH707 4.8 23.8 1.0 HB3 A:ASP465 4.8 11.9 1.0 HB2 A:GLU246 4.8 10.5 1.0 HD1 A:HIS466 4.8 10.3 1.0 HG23 A:TPO285 4.9 15.9 1.0 HA A:THR247 4.9 10.3 1.0 CE1 A:HIS478 5.0 12.0 1.0 C A:GLU246 5.0 8.8 1.0 CA A:SER284 5.0 10.2 1.0 HE1 A:HIS478 5.0 14.4 1.0

E.Lythell, R.Suardiaz, P.Hinchliffe, C.Hanpaibool, S.Visitsatthawong, A.S.F.Oliveira, E.J.M.Lang, P.Surawatanawong, V.S.Lee, T.Rungrotmongkol, N.Fey, J.Spencer, A.J.Mulholland. Resistance to the "Last Resort" Antibiotic Colistin: A Single-Zinc Mechanism For Phosphointermediate Formation in Mcr Enzymes. Chem.Commun.(Camb.) 2020.
ISSN: ESSN 1364-548X
PubMed: 32432618
DOI: 10.1039/D0CC02520H