Mercury in PDB 3pbj: Hydrolytic Catalysis and Structural Stabilization in A Designed Metalloprotein

The structure of Hydrolytic Catalysis and Structural Stabilization in A Designed Metalloprotein, PDB code: 3pbj was solved by M.L.Zastrow, A.F.A.Peacock, J.A.Stuckey, V.L.Pecoraro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.98 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	25.877, 38.649, 75.659, 90.00, 95.06, 90.00
R / Rfree (%)	20.5 / 26.4

The structure of Hydrolytic Catalysis and Structural Stabilization in A Designed Metalloprotein also contains other interesting chemical elements:

Zinc	(Zn)	7 atoms
Chlorine	(Cl)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Mercury atom in the Hydrolytic Catalysis and Structural Stabilization in A Designed Metalloprotein (pdb code 3pbj). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Hydrolytic Catalysis and Structural Stabilization in A Designed Metalloprotein, PDB code: 3pbj:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Hydrolytic Catalysis and Structural Stabilization in A Designed Metalloprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Hydrolytic Catalysis and Structural Stabilization in A Designed Metalloprotein within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg31 b:54.7 occ:0.55 SG B:LE19 2.1 58.3 1.0 SG A:LE19 2.2 39.9 1.0 SG C:LE19 2.4 33.8 0.8 C9 B:LE19 2.9 43.9 1.0 CB B:LE19 3.1 45.7 1.0 CB A:LE19 3.6 36.8 1.0 C9 A:LE19 3.7 32.4 1.0 CB C:LE19 3.8 28.0 1.0 C9 C:LE19 3.8 31.9 1.0 C8 B:LE19 4.1 42.4 1.0 CA B:LE19 4.1 38.1 1.0 CD1 B:LEU5 4.4 44.4 1.0 C8 C:LE19 4.5 23.6 0.8 CD1 A:LEU5 4.5 44.4 1.0 CA A:LE19 4.6 33.2 1.0 CD1 C:LEU5 4.6 39.2 1.0 C8 A:LE19 4.6 38.0 1.0 CG B:LEU5 4.7 45.1 1.0 N B:LE19 4.7 37.0 1.0 CA C:LE19 4.9 25.6 1.0 O B:LEU5 4.9 39.5 1.0 N A:LE19 5.0 34.2 1.0 CD2 B:LEU5 5.0 50.9 1.0

Mercury binding site 2 out of 2 in the Hydrolytic Catalysis and Structural Stabilization in A Designed Metalloprotein


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Hydrolytic Catalysis and Structural Stabilization in A Designed Metalloprotein within 5.0Å range: probe atom residue distance (Å) B Occ D:Hg33 b:46.4 occ:0.60 SG E:LE19 2.1 46.5 1.0 SG D:LE19 2.3 41.3 1.0 SG F:LE19 3.1 42.9 1.0 CB E:LE19 3.2 45.1 1.0 C9 E:LE19 3.3 44.4 1.0 CB D:LE19 3.3 39.0 1.0 C9 D:LE19 3.4 39.6 1.0 C8 E:LE19 3.8 45.7 1.0 CA D:LE19 3.8 34.1 1.0 CD1 E:LEU5 4.0 45.6 1.0 N D:LE19 4.2 33.8 1.0 C9 F:LE19 4.3 34.8 1.0 CB F:LE19 4.4 39.6 1.0 CD1 D:LEU5 4.4 38.6 1.0 CA E:LE19 4.5 41.6 1.0 CG E:LEU5 4.6 46.1 1.0 C8 D:LE19 4.7 36.2 1.0 C D:LYS8 4.8 37.3 1.0 O E:LEU5 4.9 44.9 1.0 O D:LEU5 5.0 30.0 1.0

M.L.Zastrow, A.F.Peacock, J.A.Stuckey, V.L.Pecoraro. Hydrolytic Catalysis and Structural Stabilization in A Designed Metalloprotein. Nat Chem V. 4 118 2012.
ISSN: ESSN 1755-4349
PubMed: 22270627
DOI: 10.1038/NCHEM.1201