Arsenic in PDB 1tr7: Fimh Adhesin Receptor Binding Domain From Uropathogenic E. Coli

The structure of Fimh Adhesin Receptor Binding Domain From Uropathogenic E. Coli, PDB code: 1tr7 was solved by J.Bouckaert, J.Berglund, M.Schembri, E.De Genst, L.Cools, M.Wuhrer, C.S.Hung, J.Pinkner, R.Slattegard, A.Zavialov, D.Choudhury, S.Langermann, S.J.Hultgren, L.Wyns, P.Klemm, S.Oscarson, S.D.Knight, H.De Greve, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	134.100, 29.200, 93.300, 90.00, 92.20, 90.00
R / Rfree (%)	17 / 20

The binding sites of Arsenic atom in the Fimh Adhesin Receptor Binding Domain From Uropathogenic E. Coli (pdb code 1tr7). 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 Fimh Adhesin Receptor Binding Domain From Uropathogenic E. Coli, PDB code: 1tr7:

Arsenic binding site 1 out of 1 in the Fimh Adhesin Receptor Binding Domain From Uropathogenic E. Coli


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Fimh Adhesin Receptor Binding Domain From Uropathogenic E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:As1200 b:43.5 occ:1.00 AS A:CAC1200 0.0 43.5 1.0 O1 A:CAC1200 1.8 46.1 1.0 O2 A:CAC1200 1.8 46.7 1.0 C1 A:CAC1200 2.0 47.8 1.0 C2 A:CAC1200 2.0 46.4 1.0 OG1 A:THR53 3.6 24.1 1.0 C A:THR51 3.8 21.8 1.0 O A:THR51 3.8 21.5 1.0 OD1 A:ASN136 4.1 28.4 1.0 N A:ILE52 4.1 22.6 1.0 O A:GLU50 4.2 23.3 1.0 CA A:THR51 4.3 22.1 1.0 C A:ILE52 4.4 22.8 1.0 CA A:ILE52 4.5 22.5 1.0 N A:THR53 4.5 22.7 1.0 C A:GLU50 4.7 22.8 1.0 O A:ILE52 4.7 22.2 1.0 N A:THR51 4.8 22.7 1.0 O A:PRO49 4.8 21.5 1.0 CB A:THR53 4.8 24.0 1.0 O A:HOH2706 4.8 21.4 1.0

J.Bouckaert, J.Berglund, M.Schembri, E.De Genst, L.Cools, M.Wuhrer, C.S.Hung, J.Pinkner, R.Slattegard, A.Zavialov, D.Choudhury, S.Langermann, S.J.Hultgren, L.Wyns, P.Klemm, S.Oscarson, S.D.Knight, H.De Greve. Receptor Binding Studies Disclose A Novel Class of High-Affinity Inhibitors of the Escherichia Coli Fimh Adhesin Mol.Microbiol. V. 55 441 2005.
ISSN: ISSN 0950-382X
PubMed: 15659162
DOI: 10.1111/J.1365-2958.2004.04415.X