Mercury in PDB 3lk1: X-Ray Structure of Bovine SC0322,Ca(2+)-S100B

The structure of X-Ray Structure of Bovine SC0322,Ca(2+)-S100B, PDB code: 3lk1 was solved by T.H.Charpentier, D.J.Weber, P.W.Wilder, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.50 / 1.79
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	35.194, 88.792, 58.996, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.2

The structure of X-Ray Structure of Bovine SC0322,Ca(2+)-S100B also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Mercury atom in the X-Ray Structure of Bovine SC0322,Ca(2+)-S100B (pdb code 3lk1). 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 X-Ray Structure of Bovine SC0322,Ca(2+)-S100B, PDB code: 3lk1:

Mercury binding site 1 out of 1 in the X-Ray Structure of Bovine SC0322,Ca(2+)-S100B


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of X-Ray Structure of Bovine SC0322,Ca(2+)-S100B within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg92 b:55.8 occ:0.25 HG A:EMC92 0.0 55.8 0.2 O A:CYS84 2.0 69.7 1.0 C1 A:EMC92 2.4 57.6 1.0 SG A:CYS84 2.7 66.4 1.0 O A:HOH126 2.8 78.3 1.0 C A:CYS84 3.2 70.0 1.0 C2 A:EMC92 3.2 55.7 1.0 N A:HIS85 4.0 72.8 1.0 CB A:CYS84 4.0 64.2 1.0 CA A:CYS84 4.2 67.8 1.0 O A:HOH127 4.6 0.1 1.0

P.T.Wilder, T.H.Charpentier, M.A.Liriano, K.Gianni, K.M.Varney, E.Pozharski, A.Coop, E.A.Toth, A.D.Mackerell, D.J.Weber. In Vitro Screening and Structural Characterization of Inhibitors of the S100B-P53 Interaction. Int J High Throughput Screen V.2010 109 2010.
ISSN: ESSN 1179-1381
PubMed: 21132089
DOI: 10.2147/IJHTS.S8210