Mercury in PDB 3oxh: Mycobacterium Tuberculosis Kinase Inhibitor Homolog RV0577

The structure of Mycobacterium Tuberculosis Kinase Inhibitor Homolog RV0577, PDB code: 3oxh was solved by N.Echols, E.M.Flynn, S.Stephenson, H.-L.Ng, T.Alber, Tb Structuralgenomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.597, 81.981, 36.037, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.2

The structure of Mycobacterium Tuberculosis Kinase Inhibitor Homolog RV0577 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Mercury atom in the Mycobacterium Tuberculosis Kinase Inhibitor Homolog RV0577 (pdb code 3oxh). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Mycobacterium Tuberculosis Kinase Inhibitor Homolog RV0577, PDB code: 3oxh:

Mercury binding site 1 out of 1 in the Mycobacterium Tuberculosis Kinase Inhibitor Homolog RV0577


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Mycobacterium Tuberculosis Kinase Inhibitor Homolog RV0577 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg301 b:46.5 occ:0.60 HG A:PMB301 0.0 46.5 0.6 O A:HOH271 1.7 17.7 1.0 NE2 A:HIS-11 2.1 36.4 1.0 C4 A:PMB301 2.3 42.5 0.6 CE1 A:HIS-11 2.6 35.6 1.0 C3 A:PMB301 3.2 43.0 0.6 C5 A:PMB301 3.2 42.9 0.6 CD2 A:HIS-11 3.3 35.8 1.0 O A:HOH274 3.4 28.4 1.0 CZ A:TYR49 3.7 20.7 1.0 OH A:TYR49 3.7 18.9 1.0 CE1 A:TYR49 3.8 20.7 1.0 ND1 A:HIS-11 3.8 36.0 1.0 CG2 A:ILE107 4.0 26.5 1.0 CG A:HIS-11 4.2 34.8 1.0 CE2 A:TYR49 4.2 22.2 1.0 CZ3 A:TRP127 4.3 19.4 1.0 CH2 A:TRP127 4.4 19.9 1.0 CE1 A:HIS-12 4.4 24.1 1.0 CD1 A:TYR49 4.4 22.5 1.0 OD2 A:ASP16 4.5 13.8 1.0 C2 A:PMB301 4.5 43.3 0.6 C6 A:PMB301 4.5 43.0 0.6 NE2 A:HIS-12 4.8 22.6 1.0 CG1 A:ILE107 4.8 25.8 1.0 CD2 A:TYR49 4.8 22.6 1.0 CB A:ILE107 4.9 24.3 1.0 CG A:TYR49 4.9 22.3 1.0

G.W.Buchko, N.Echols, E.M.Flynn, H.L.Ng, S.Stephenson, H.B.Kim, P.J.Myler, T.C.Terwilliger, T.Alber, C.Y.Kim. Structural and Biophysical Characterization of the Mycobacterium Tuberculosis Protein RV0577, A Protein Associated with Neutral Red Staining of Virulent Tuberculosis Strains and Homologue of the Streptomyces Coelicolor Protein Kbpa. Biochemistry 2017.
ISSN: ISSN 1520-4995
PubMed: 28692281
DOI: 10.1021/ACS.BIOCHEM.7B00511