Arsenic in PDB 4f18: Subatomic Resolution Structure of A High Affinity Periplasmic Phosphate-Binding Protein (Pfluding) Bound with Arsenate at pH 8.5

The structure of Subatomic Resolution Structure of A High Affinity Periplasmic Phosphate-Binding Protein (Pfluding) Bound with Arsenate at pH 8.5, PDB code: 4f18 was solved by M.Elias, A.Wellner, K.Goldin, E.Chabriere, D.S.Tawfik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.02 / 0.96
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.900, 124.160, 40.900, 90.00, 116.51, 90.00
R / Rfree (%)	9.5 / 11

The binding sites of Arsenic atom in the Subatomic Resolution Structure of A High Affinity Periplasmic Phosphate-Binding Protein (Pfluding) Bound with Arsenate at pH 8.5 (pdb code 4f18). 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 Subatomic Resolution Structure of A High Affinity Periplasmic Phosphate-Binding Protein (Pfluding) Bound with Arsenate at pH 8.5, PDB code: 4f18:

Arsenic binding site 1 out of 1 in the Subatomic Resolution Structure of A High Affinity Periplasmic Phosphate-Binding Protein (Pfluding) Bound with Arsenate at pH 8.5


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Subatomic Resolution Structure of A High Affinity Periplasmic Phosphate-Binding Protein (Pfluding) Bound with Arsenate at pH 8.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:As1401 b:3.7 occ:0.77 AS A:8AR1401 0.0 3.7 0.8 O4 A:8AR1401 1.6 4.7 1.0 O3 A:8AR1401 1.6 4.4 1.0 O1 A:8AR1401 1.7 4.1 1.0 O2 A:8AR1401 1.7 4.4 1.0 HO2 A:8AR1401 2.1 4.6 1.0 HH22 A:ARG1141 2.8 5.0 1.0 H A:THR1008 2.9 4.0 1.0 H A:GLY1146 3.0 4.2 1.0 HG1 A:THR1147 3.1 4.6 1.0 HH12 A:ARG1141 3.1 5.0 1.0 HG1 A:THR1008 3.1 4.7 1.0 HG A:SER1032 3.1 4.7 1.0 HG A:SER1145 3.2 4.8 1.0 H A:THR1147 3.2 3.9 1.0 HA A:ALA1007 3.2 4.0 1.0 H A:LEU1009 3.2 4.2 1.0 H A:SER1032 3.3 4.1 1.0 OD1 A:ASP1062 3.3 5.3 1.0 HA2 A:GLY1031 3.4 4.7 1.0 NH2 A:ARG1141 3.5 5.3 1.0 N A:THR1008 3.6 4.0 1.0 HA A:SER1145 3.6 4.6 1.0 N A:GLY1146 3.7 4.1 1.0 NH1 A:ARG1141 3.8 5.1 1.0 OG1 A:THR1147 3.9 4.5 1.0 OG1 A:THR1008 3.9 4.7 1.0 OG A:SER1032 3.9 4.6 1.0 HB2 A:ALA1007 3.9 4.1 1.0 OG A:SER1145 4.0 4.7 1.0 N A:THR1147 4.0 3.9 1.0 CA A:ALA1007 4.0 4.0 1.0 N A:SER1032 4.0 4.2 1.0 N A:LEU1009 4.0 4.1 1.0 HB2 A:LEU1009 4.1 4.8 1.0 CZ A:ARG1141 4.1 4.8 1.0 HH21 A:ARG1141 4.1 5.2 1.0 HA3 A:GLY1146 4.2 4.3 1.0 HB3 A:LEU1009 4.3 4.7 1.0 C A:ALA1007 4.3 3.8 1.0 CB A:ALA1007 4.3 4.3 1.0 CA A:GLY1031 4.3 5.0 1.0 HB1 A:ALA1007 4.3 4.2 1.0 CA A:SER1145 4.3 4.7 1.0 CA A:GLY1146 4.4 4.2 1.0 HB2 A:SER1032 4.5 4.3 1.0 HH11 A:ARG1141 4.5 5.0 1.0 CG A:ASP1062 4.5 4.6 1.0 HG23 A:THR1008 4.5 5.0 1.0 C A:SER1145 4.5 4.4 1.0 CA A:THR1008 4.5 4.3 1.0 HB2 A:SER1145 4.5 4.9 1.0 CB A:SER1145 4.5 5.1 1.0 HG A:SER1190 4.6 5.1 1.0 CB A:LEU1009 4.6 4.6 1.0 HB A:THR1147 4.6 4.4 1.0 CB A:SER1032 4.6 4.2 1.0 C A:GLY1031 4.7 4.1 1.0 C A:GLY1146 4.7 4.1 1.0 CB A:THR1008 4.7 4.5 1.0 CB A:THR1147 4.7 4.4 1.0 HA3 A:GLY1031 4.7 5.3 1.0 C A:THR1008 4.8 4.1 1.0 OD2 A:ASP1062 4.9 5.1 1.0 CA A:SER1032 4.9 4.2 1.0 CA A:THR1147 4.9 4.1 1.0 CA A:LEU1009 5.0 4.2 1.0

M.Elias, A.Wellner, K.Goldin-Azulay, E.Chabriere, J.A.Vorholt, T.J.Erb, D.S.Tawfik. The Molecular Basis of Phosphate Discrimination in Arsenate-Rich Environments. Nature V. 491 134 2012.
ISSN: ISSN 0028-0836
PubMed: 23034649
DOI: 10.1038/NATURE11517