Arsenic in PDB 4xoe: Crystal Structure of A Fimh*Dsg Complex From E.Coli F18 with Bound Heptyl Alpha-D-Mannopyrannoside

The structure of Crystal Structure of A Fimh*Dsg Complex From E.Coli F18 with Bound Heptyl Alpha-D-Mannopyrannoside, PDB code: 4xoe was solved by R.P.Jakob, M.M.Sauer, G.Navarra, B.Ernst, R.Glockshuber, T.Maier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.40 / 2.40
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	128.360, 128.360, 128.360, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 17.9

The binding sites of Arsenic atom in the Crystal Structure of A Fimh*Dsg Complex From E.Coli F18 with Bound Heptyl Alpha-D-Mannopyrannoside (pdb code 4xoe). 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 Crystal Structure of A Fimh*Dsg Complex From E.Coli F18 with Bound Heptyl Alpha-D-Mannopyrannoside, PDB code: 4xoe:

Arsenic binding site 1 out of 1 in the Crystal Structure of A Fimh*Dsg Complex From E.Coli F18 with Bound Heptyl Alpha-D-Mannopyrannoside


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of A Fimh*Dsg Complex From E.Coli F18 with Bound Heptyl Alpha-D-Mannopyrannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:As302 b:0.6 occ:1.00 AS A:CAC302 0.0 0.6 1.0 O2 A:CAC302 1.7 0.8 1.0 O1 A:CAC302 1.7 0.5 1.0 C2 A:CAC302 2.0 89.9 1.0 C1 A:CAC302 2.0 96.4 1.0 O A:HOH401 4.1 53.5 1.0 HA B:ALA13 4.2 0.6 1.0 O A:VAL263 4.3 71.1 1.0 HG13 B:VAL11 4.4 62.9 1.0 HG12 A:VAL263 4.5 54.6 1.0 H B:LYS14 4.5 0.5 1.0 HG11 B:VAL11 4.6 62.9 1.0 HG12 B:VAL11 4.6 62.9 1.0 HB A:VAL263 4.7 67.0 1.0 CG1 B:VAL11 4.7 52.4 1.0 O B:VAL12 4.8 78.6 1.0 HE1 A:TYR175 4.9 61.3 1.0

M.M.Sauer, R.P.Jakob, J.Eras, S.Baday, D.Eris, G.Navarra, S.Berneche, B.Ernst, T.Maier, R.Glockshuber. Catch-Bond Mechanism of the Bacterial Adhesin Fimh. Nat Commun V. 7 10738 2016.
ISSN: ESSN 2041-1723
PubMed: 26948702
DOI: 10.1038/NCOMMS10738