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Arsenic in PDB 3gk1: X-Ray Structure of Bovine SBI132,Ca(2+)-S100B

Protein crystallography data

The structure of X-Ray Structure of Bovine SBI132,Ca(2+)-S100B, PDB code: 3gk1 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) 45.41 / 2.10
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 34.666, 90.778, 58.994, 90.00, 90.00, 90.00
R / Rfree (%) 20.6 / 25.7

Other elements in 3gk1:

The structure of X-Ray Structure of Bovine SBI132,Ca(2+)-S100B also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the X-Ray Structure of Bovine SBI132,Ca(2+)-S100B (pdb code 3gk1). 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 SBI132,Ca(2+)-S100B, PDB code: 3gk1:

Arsenic binding site 1 out of 1 in 3gk1

Go back to Arsenic Binding Sites List in 3gk1
Arsenic binding site 1 out of 1 in the X-Ray Structure of Bovine SBI132,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 SBI132,Ca(2+)-S100B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As95

b:68.7
occ:0.30
AS A:CAC95 0.0 68.7 0.3
O1 A:CAC95 1.7 64.0 0.3
O2 A:CAC95 1.8 63.9 0.3
C1 A:CAC95 2.0 64.4 0.3
C2 A:CAC95 2.0 64.6 0.3
O A:ARG20 4.0 44.1 1.0
O A:GLY19 4.2 43.7 1.0
CA A:ARG20 4.6 43.7 1.0
C A:ARG20 4.7 43.9 1.0
NZ A:LYS24 4.9 52.7 1.0

Reference:

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
Page generated: Wed Jul 10 11:42:34 2024

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