Arsenic in PDB 3gk2: X-Ray Structure of Bovine SBI279,Ca(2+)-S100B

The structure of X-Ray Structure of Bovine SBI279,Ca(2+)-S100B, PDB code: 3gk2 was solved by T.H.Charpentier, D.J.Weber, E.A.Toth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.60 / 1.98
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.224, 91.158, 58.649, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 28.1

The structure of X-Ray Structure of Bovine SBI279,Ca(2+)-S100B also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Arsenic atom in the X-Ray Structure of Bovine SBI279,Ca(2+)-S100B (pdb code 3gk2). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the X-Ray Structure of Bovine SBI279,Ca(2+)-S100B, PDB code: 3gk2:

Arsenic binding site 1 out of 1 in the X-Ray Structure of Bovine SBI279,Ca(2+)-S100B


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of X-Ray Structure of Bovine SBI279,Ca(2+)-S100B within 5.0Å range: probe atom residue distance (Å) B Occ A:As95 b:65.0 occ:0.30 AS A:CAC95 0.0 65.0 0.3 O1 A:CAC95 1.7 64.4 0.3 O2 A:CAC95 1.7 64.4 0.3 C2 A:CAC95 2.0 64.4 0.3 C1 A:CAC95 2.0 64.4 0.3 O A:ARG20 3.8 50.5 1.0 O A:GLY19 3.8 50.5 1.0 NZ A:LYS24 4.4 51.2 1.0 CA A:ARG20 4.5 50.5 1.0 C A:ARG20 4.5 50.5 1.0 C A:GLY19 4.9 50.4 1.0

T.H.Charpentier, P.T.Wilder, M.A.Liriano, K.M.Varney, S.Zhong, A.Coop, E.Pozharski, A.D.Mackerell, E.A.Toth, D.J.Weber. Small Molecules Bound to Unique Sites in the Target Protein Binding Cleft of Calcium-Bound S100B As Characterized By Nuclear Magnetic Resonance and X-Ray Crystallography. Biochemistry V. 48 6202 2009.
ISSN: ISSN 0006-2960
PubMed: 19469484
DOI: 10.1021/BI9005754