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

Protein crystallography data

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

Other elements in 3pbj:

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

Mercury Binding Sites:

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 3pbj

Go back to Mercury Binding Sites List in 3pbj
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 3pbj

Go back to Mercury Binding Sites List in 3pbj
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

Reference:

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
Page generated: Sun Dec 13 19:10:14 2020

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