Zinc in PDB 4rna: Crystal Structure of Plpro From Middle East Respiratory Syndrome (Mers) Coronavirus

The structure of Crystal Structure of Plpro From Middle East Respiratory Syndrome (Mers) Coronavirus, PDB code: 4rna was solved by H.Lei, B.D.Santarsiero, H.Lee, M.E.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.73 / 1.79
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.899, 48.780, 87.464, 90.00, 121.52, 90.00
R / Rfree (%)	18.9 / 24.1

The binding sites of Zinc atom in the Crystal Structure of Plpro From Middle East Respiratory Syndrome (Mers) Coronavirus (pdb code 4rna). 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 Plpro From Middle East Respiratory Syndrome (Mers) Coronavirus, PDB code: 4rna:

Zinc binding site 1 out of 1 in the Crystal Structure of Plpro From Middle East Respiratory Syndrome (Mers) Coronavirus


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 Plpro From Middle East Respiratory Syndrome (Mers) Coronavirus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:37.5 occ:1.00 SG A:CYS194 2.3 37.7 1.0 SG A:CYS228 2.3 41.1 1.0 SG A:CYS191 2.4 37.9 1.0 SG A:CYS226 2.4 36.2 1.0 CB A:CYS228 3.2 39.9 1.0 CB A:CYS191 3.3 36.6 1.0 CB A:CYS226 3.3 38.8 1.0 CB A:CYS194 3.3 40.3 1.0 N A:CYS228 3.9 40.9 1.0 N A:CYS194 3.9 45.6 1.0 O A:HOH560 4.1 47.0 1.0 CA A:CYS228 4.1 37.1 1.0 CA A:CYS194 4.2 43.6 1.0 CB A:VAL193 4.5 51.5 1.0 CA A:CYS226 4.6 33.1 1.0 O A:GLU231 4.7 35.4 1.0 CA A:CYS191 4.7 35.8 1.0 C A:CYS226 4.8 39.5 1.0 N A:GLN227 4.8 35.4 1.0 C A:VAL193 4.8 46.3 1.0 NE2 A:GLN227 4.9 49.4 1.0 CG1 A:VAL193 4.9 50.9 1.0

H.Lee, H.Lei, B.D.Santarsiero, J.L.Gatuz, S.Cao, A.J.Rice, K.Patel, M.Z.Szypulinski, I.Ojeda, A.K.Ghosh, M.E.Johnson. Inhibitor Recognition Specificity of Mers-Cov Papain-Like Protease May Differ From That of Sars-Cov. Acs Chem.Biol. 2015.
ISSN: ESSN 1554-8937
PubMed: 25746232
DOI: 10.1021/CB500917M