Arsenic in PDB 6eu7: Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26

The structure of Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26, PDB code: 6eu7 was solved by S.Djordjevic, C.Badilla, A.Cole, J.Santini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	136.84 / 3.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	202.359, 116.917, 136.838, 90.00, 90.02, 90.00
R / Rfree (%)	19.2 / 21.5

The binding sites of Arsenic atom in the Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26 (pdb code 6eu7). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 6 binding sites of Arsenic where determined in the Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26, PDB code: 6eu7:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6;

Arsenic binding site 1 out of 6 in the Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ A:As106 b:54.2 occ:1.00 AS A:CZ2106 0.0 54.2 1.0 O2 A:CZ2106 1.7 38.9 1.0 O1 A:CZ2106 1.7 42.4 1.0 SG A:CZ2106 2.3 52.3 1.0 CB A:CZ2106 3.2 51.0 1.0 OG A:SER161 3.3 46.4 1.0 OH A:TYR131 3.5 45.8 1.0 OG A:SER163 3.6 51.8 1.0 OH A:TYR88 3.9 48.9 1.0 NE2 A:HIS192 3.9 50.6 1.0 N A:ASN162 4.0 41.5 1.0 N A:SER163 4.1 43.4 1.0 CG1 A:VAL56 4.1 43.6 1.0 CA A:CZ2106 4.1 55.9 1.0 CG A:PRO240 4.3 40.8 1.0 CZ A:TYR131 4.4 52.8 1.0 CE2 A:TYR88 4.4 45.1 1.0 CE2 A:TYR131 4.4 53.7 1.0 CB A:SER161 4.4 46.0 1.0 OD2 A:ASP210 4.5 44.5 1.0 CE1 A:HIS192 4.5 48.6 1.0 CB A:SER163 4.5 49.6 1.0 CA A:SER161 4.6 40.6 1.0 CB A:ASN162 4.6 38.4 1.0 CZ A:TYR88 4.6 46.9 1.0 CA A:ASN162 4.7 41.6 1.0 C A:SER161 4.7 40.6 1.0 CA A:SER163 4.9 44.7 1.0 N A:GLY107 4.9 47.8 1.0 C A:ASN162 4.9 43.1 1.0 CD2 A:HIS192 4.9 48.2 1.0

Arsenic binding site 2 out of 6 in the Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ B:As106 b:53.3 occ:1.00 AS B:CZ2106 0.0 53.3 1.0 O2 B:CZ2106 1.7 41.3 1.0 O1 B:CZ2106 1.7 50.2 1.0 SG B:CZ2106 2.3 58.6 1.0 CB B:CZ2106 3.3 44.6 1.0 OG B:SER161 3.4 53.8 1.0 OH B:TYR131 3.5 56.1 1.0 OG B:SER163 3.6 43.9 1.0 NE2 B:HIS192 3.8 42.4 1.0 OH B:TYR88 3.9 64.0 1.0 N B:ASN162 4.0 51.3 1.0 CG1 B:VAL56 4.0 54.3 1.0 N B:SER163 4.1 49.4 1.0 CG B:PRO240 4.1 47.6 1.0 CA B:CZ2106 4.2 45.4 1.0 CE2 B:TYR88 4.3 58.3 1.0 CZ B:TYR131 4.4 57.0 1.0 OD2 B:ASP210 4.4 46.2 1.0 CB B:SER161 4.4 55.7 1.0 CE2 B:TYR131 4.4 57.9 1.0 CE1 B:HIS192 4.5 41.4 1.0 CA B:SER161 4.5 52.7 1.0 CB B:SER163 4.6 44.8 1.0 CZ B:TYR88 4.6 62.0 1.0 CB B:ASN162 4.6 49.7 1.0 CA B:ASN162 4.7 50.5 1.0 C B:SER161 4.8 51.2 1.0 CD2 B:HIS192 4.9 43.4 1.0 CB B:VAL56 4.9 52.2 1.0 CA B:SER163 5.0 43.1 1.0 N B:GLY107 5.0 44.9 1.0 C B:ASN162 5.0 51.4 1.0

Arsenic binding site 3 out of 6 in the Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ C:As106 b:52.5 occ:1.00 AS C:CZ2106 0.0 52.5 1.0 O2 C:CZ2106 1.7 38.8 1.0 O1 C:CZ2106 1.7 41.0 1.0 SG C:CZ2106 2.3 48.8 1.0 CB C:CZ2106 3.3 48.9 1.0 OG C:SER161 3.3 53.9 1.0 OH C:TYR131 3.5 49.4 1.0 OG C:SER163 3.6 43.9 1.0 OH C:TYR88 3.9 47.0 1.0 NE2 C:HIS192 3.9 48.3 1.0 N C:ASN162 4.1 40.5 1.0 N C:SER163 4.1 40.0 1.0 CG1 C:VAL56 4.1 37.6 1.0 CA C:CZ2106 4.2 54.0 1.0 CE2 C:TYR88 4.3 42.2 1.0 CG C:PRO240 4.3 37.4 1.0 CZ C:TYR131 4.4 53.8 1.0 CE2 C:TYR131 4.4 50.9 1.0 CB C:SER161 4.4 44.7 1.0 OD2 C:ASP210 4.4 43.0 1.0 CE1 C:HIS192 4.5 46.6 1.0 CB C:SER163 4.5 45.4 1.0 CA C:SER161 4.6 41.8 1.0 CZ C:TYR88 4.6 44.9 1.0 CB C:ASN162 4.6 35.9 1.0 CA C:ASN162 4.7 38.7 1.0 C C:SER161 4.8 40.6 1.0 CD2 C:HIS192 4.9 46.1 1.0 CA C:SER163 4.9 41.6 1.0 C C:ASN162 4.9 41.1 1.0 N C:GLY107 5.0 47.8 1.0

Arsenic binding site 4 out of 6 in the Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ D:As106 b:48.2 occ:1.00 AS D:CZ2106 0.0 48.2 1.0 O2 D:CZ2106 1.7 41.5 1.0 O1 D:CZ2106 1.7 46.9 1.0 SG D:CZ2106 2.3 51.9 1.0 CB D:CZ2106 3.3 44.0 1.0 OG D:SER161 3.4 52.7 1.0 OH D:TYR131 3.5 57.5 1.0 OG D:SER163 3.6 40.4 1.0 NE2 D:HIS192 3.9 40.9 1.0 OH D:TYR88 3.9 49.0 1.0 N D:ASN162 4.0 53.7 1.0 CG1 D:VAL56 4.1 46.5 1.0 N D:SER163 4.1 47.2 1.0 CG D:PRO240 4.1 49.8 1.0 CA D:CZ2106 4.1 47.3 1.0 CE2 D:TYR88 4.3 48.7 1.0 OD2 D:ASP210 4.4 46.7 1.0 CZ D:TYR131 4.4 54.7 1.0 CB D:SER161 4.5 52.1 1.0 CE2 D:TYR131 4.5 51.4 1.0 CE1 D:HIS192 4.5 41.8 1.0 CB D:SER163 4.5 41.5 1.0 CA D:SER161 4.5 47.8 1.0 CZ D:TYR88 4.6 50.1 1.0 CB D:ASN162 4.6 49.6 1.0 CA D:ASN162 4.7 51.1 1.0 C D:SER161 4.8 48.9 1.0 N D:GLY107 4.8 46.6 1.0 CD2 D:HIS192 4.9 41.9 1.0 CA D:SER163 4.9 41.5 1.0 CB D:VAL56 5.0 44.5 1.0 C D:ASN162 5.0 49.9 1.0

Arsenic binding site 5 out of 6 in the Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ E:As106 b:51.1 occ:1.00 AS E:CZ2106 0.0 51.1 1.0 O2 E:CZ2106 1.7 42.4 1.0 O1 E:CZ2106 1.7 40.1 1.0 SG E:CZ2106 2.3 51.8 1.0 CB E:CZ2106 3.3 51.4 1.0 OG E:SER161 3.3 44.1 1.0 OG E:SER163 3.4 58.9 1.0 OH E:TYR131 3.5 51.5 1.0 NE2 E:HIS192 3.8 53.4 1.0 OH E:TYR88 3.9 50.8 1.0 N E:ASN162 4.0 40.9 1.0 N E:SER163 4.1 45.6 1.0 CG1 E:VAL56 4.1 36.5 1.0 CG E:PRO240 4.2 46.6 1.0 CA E:CZ2106 4.2 56.8 1.0 CB E:SER163 4.3 43.0 1.0 CE2 E:TYR88 4.3 46.5 1.0 CZ E:TYR131 4.4 53.5 1.0 CE2 E:TYR131 4.4 50.0 1.0 CB E:SER161 4.4 41.2 1.0 OD2 E:ASP210 4.4 39.9 1.0 CE1 E:HIS192 4.5 55.0 1.0 CA E:SER161 4.5 39.1 1.0 CZ E:TYR88 4.6 46.8 1.0 CB E:ASN162 4.6 37.9 1.0 CA E:ASN162 4.7 41.6 1.0 C E:SER161 4.7 39.0 1.0 CA E:SER163 4.8 45.0 1.0 CD2 E:HIS192 4.9 51.2 1.0 C E:ASN162 4.9 42.5 1.0 N E:GLY107 5.0 53.2 1.0 CB E:VAL56 5.0 41.8 1.0

Arsenic binding site 6 out of 6 in the Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Structure of the Arsenite-Bound Form of Aiox From Rhizobium Sp. Str. Nt-26 within 5.0Å range: probe atom residue distance (Å) B Occ F:As106 b:53.1 occ:1.00 AS F:CZ2106 0.0 53.1 1.0 O2 F:CZ2106 1.7 40.6 1.0 O1 F:CZ2106 1.7 47.9 1.0 SG F:CZ2106 2.3 57.8 1.0 CB F:CZ2106 3.3 45.5 1.0 OG F:SER161 3.3 47.2 1.0 OH F:TYR131 3.5 59.9 1.0 OG F:SER163 3.6 54.5 1.0 NE2 F:HIS192 3.8 43.3 1.0 OH F:TYR88 3.9 54.3 1.0 N F:ASN162 4.0 51.4 1.0 CG1 F:VAL56 4.1 60.3 1.0 CG F:PRO240 4.1 48.8 1.0 N F:SER163 4.1 53.6 1.0 CA F:CZ2106 4.2 47.5 1.0 CE2 F:TYR88 4.3 54.7 1.0 OD2 F:ASP210 4.4 43.0 1.0 CZ F:TYR131 4.4 57.6 1.0 CB F:SER161 4.4 49.6 1.0 CE2 F:TYR131 4.4 57.1 1.0 CE1 F:HIS192 4.5 41.4 1.0 CA F:SER161 4.5 46.4 1.0 CZ F:TYR88 4.6 57.3 1.0 CB F:SER163 4.6 51.2 1.0 CB F:ASN162 4.6 44.7 1.0 CA F:ASN162 4.7 48.0 1.0 C F:SER161 4.7 47.4 1.0 CD2 F:HIS192 4.9 41.8 1.0 CB F:VAL56 5.0 54.5 1.0 C F:ASN162 5.0 50.6 1.0 N F:GLY107 5.0 45.8 1.0 CA F:SER163 5.0 49.8 1.0

C.Badilla, T.H.Osborne, A.Cole, C.Watson, S.Djordjevic, J.M.Santini. A New Family of Periplasmic-Binding Proteins That Sense Arsenic Oxyanions. Sci Rep V. 8 6282 2018.
ISSN: ESSN 2045-2322
PubMed: 29674678
DOI: 10.1038/S41598-018-24591-W