Arsenic in PDB 6cz8: The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate

The structure of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate, PDB code: 6cz8 was solved by N.R.Glasser, D.K.Newman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.10 / 1.78
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	233.162, 86.344, 148.221, 90.00, 127.67, 90.00
R / Rfree (%)	13.7 / 16.8

The structure of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate also contains other interesting chemical elements:

Molybdenum	(Mo)	2 atoms
Iron	(Fe)	40 atoms

The binding sites of Arsenic atom in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate (pdb code 6cz8). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate, PDB code: 6cz8:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate within 5.0Å range: probe atom residue distance (Å) B Occ C:As904 b:21.5 occ:0.49 AS C:ART904 0.0 21.5 0.5 O C:O907 1.3 17.5 0.5 O4 C:ART904 1.6 18.6 0.5 O2 C:ART904 1.7 28.4 0.5 O3 C:ART904 1.8 24.7 0.5 O1 C:ART904 1.8 19.9 0.5 O2 C:ART904 1.8 14.6 0.5 O C:O906 2.2 33.7 0.8 AS C:ART904 2.4 42.2 0.5 O3 C:ART904 2.4 83.0 0.5 HH C:TYR166 2.9 25.4 1.0 HH12 C:ARG165 3.1 24.1 1.0 HH C:TYR210 3.3 27.2 1.0 O1 C:ART904 3.4 24.5 0.5 O C:HOH1120 3.6 21.1 1.0 HE1 C:TYR166 3.6 24.5 1.0 O C:HOH1086 3.7 38.9 1.0 OH C:TYR166 3.7 21.2 1.0 O4 C:ART904 3.8 32.2 0.5 HG C:SER190 3.8 25.1 1.0 NE2 C:HIS189 3.9 17.5 1.0 HG21 C:THR65 4.0 24.1 1.0 NH1 C:ARG165 4.0 20.1 1.0 HD2 C:HIS189 4.0 20.9 1.0 HH22 C:ARG165 4.0 22.9 1.0 SG C:CYS193 4.0 19.3 1.0 OH C:TYR210 4.0 22.7 1.0 O C:O912 4.1 36.1 0.9 HA C:SER190 4.1 22.3 1.0 HB3 C:CYS193 4.3 22.9 1.0 O C:HOH1012 4.3 19.1 1.0 CD2 C:HIS189 4.3 17.4 1.0 O C:HOH1057 4.3 20.8 1.0 CE1 C:TYR166 4.4 20.4 1.0 HH11 C:ARG165 4.4 24.1 1.0 HB2 C:CYS193 4.4 22.9 1.0 CZ C:TYR166 4.5 21.8 1.0 CB C:CYS193 4.5 19.1 1.0 HE2 C:TYR210 4.6 26.3 1.0 OG C:SER190 4.6 20.9 1.0 NH2 C:ARG165 4.7 19.1 1.0 HZ1 C:LYS198 4.7 26.1 1.0 CG2 C:THR65 4.8 20.1 1.0 CZ C:ARG165 4.8 19.8 1.0 HG22 C:THR65 4.9 24.1 1.0

Arsenic binding site 2 out of 4 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate within 5.0Å range: probe atom residue distance (Å) B Occ C:As904 b:42.2 occ:0.51 AS C:ART904 0.0 42.2 0.5 O4 C:ART904 1.6 32.2 0.5 O2 C:ART904 1.7 14.6 0.5 O2 C:ART904 1.8 28.4 0.5 O3 C:ART904 1.8 83.0 0.5 O1 C:ART904 1.8 24.5 0.5 O C:O912 2.0 36.1 0.9 AS C:ART904 2.4 21.5 0.5 O4 C:ART904 2.6 18.6 0.5 O1 C:ART904 2.8 19.9 0.5 HZ1 C:LYS198 2.9 26.1 1.0 HG C:SER190 3.0 25.1 1.0 HH C:TYR166 3.3 25.4 1.0 HH C:TYR210 3.3 27.2 1.0 O C:O906 3.5 33.7 0.8 O C:HOH1120 3.6 21.1 1.0 O C:O907 3.6 17.5 0.5 NZ C:LYS198 3.7 21.8 1.0 OG C:SER190 3.7 20.9 1.0 HZ2 C:LYS198 3.7 26.1 1.0 OH C:TYR166 3.7 21.2 1.0 HZ3 C:LYS198 4.0 26.1 1.0 OH C:TYR210 4.0 22.7 1.0 HB3 C:SER190 4.1 23.1 1.0 O3 C:ART904 4.1 24.7 0.5 O C:HOH1057 4.1 20.8 1.0 HA C:SER190 4.4 22.3 1.0 CB C:SER190 4.4 19.3 1.0 O C:HOH1086 4.4 38.9 1.0 O C:HOH1241 4.4 41.8 1.0 OE2 C:GLU195 4.4 24.2 1.0 HE2 C:TYR210 4.5 26.3 1.0 HE1 C:TYR166 4.6 24.5 1.0 O C:HOH1285 4.7 32.3 1.0 HE3 C:LYS198 4.7 25.1 1.0 CE C:LYS198 4.8 20.9 1.0 CZ C:TYR166 4.8 21.8 1.0 CZ C:TYR210 4.9 22.7 1.0 CA C:SER190 5.0 18.6 1.0 HH21 C:ARG163 5.0 25.1 1.0 CE2 C:TYR210 5.0 21.9 1.0

Arsenic binding site 3 out of 4 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate within 5.0Å range: probe atom residue distance (Å) B Occ A:As904 b:29.2 occ:0.59 AS A:ART904 0.0 29.2 0.6 O A:O907 1.3 28.5 0.5 O4 A:ART904 1.6 33.5 0.6 O2 A:ART904 1.8 26.0 0.6 O1 A:ART904 1.8 23.1 0.6 O3 A:ART904 1.8 29.8 0.6 O A:O906 2.0 32.2 0.8 O4 A:ART904 2.1 84.5 0.4 O3 A:ART904 2.2 56.9 0.4 AS A:ART904 2.5 49.5 0.4 HH A:TYR166 3.0 31.3 1.0 HH12 A:ARG165 3.2 31.6 1.0 HH A:TYR210 3.3 30.5 1.0 O2 A:ART904 3.5 29.6 0.4 O A:HOH1012 3.5 39.5 1.0 O A:HOH1045 3.7 21.8 1.0 HE1 A:TYR166 3.8 33.0 1.0 OH A:TYR166 3.8 26.1 1.0 NE2 A:HIS189 3.9 27.0 1.0 HG21 A:THR65 3.9 30.5 1.0 O A:HOH1210 3.9 41.3 1.0 SG A:CYS193 3.9 25.1 1.0 OH A:TYR210 4.0 25.4 1.0 HH22 A:ARG165 4.0 27.4 1.0 NH1 A:ARG165 4.0 26.3 1.0 HD2 A:HIS189 4.1 31.9 1.0 O1 A:ART904 4.1 31.6 0.4 HA A:SER190 4.2 31.9 1.0 O A:O912 4.2 30.5 0.6 HB3 A:CYS193 4.3 30.1 1.0 O A:HOH1250 4.4 21.2 1.0 O A:HOH1142 4.4 25.4 1.0 CD2 A:HIS189 4.4 26.6 1.0 HB2 A:CYS193 4.4 30.1 1.0 HE2 A:TYR210 4.5 29.0 1.0 HH11 A:ARG165 4.5 31.6 1.0 CB A:CYS193 4.5 25.1 1.0 CE1 A:TYR166 4.5 27.5 1.0 CZ A:TYR166 4.7 28.9 1.0 NH2 A:ARG165 4.7 22.8 1.0 HZ1 A:LYS198 4.7 34.8 1.0 OG A:SER190 4.7 30.0 1.0 HG A:SER190 4.8 36.0 1.0 CG2 A:THR65 4.8 25.4 1.0 CZ A:ARG165 4.8 23.4 1.0 HG22 A:THR65 4.9 30.5 1.0

Arsenic binding site 4 out of 4 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate within 5.0Å range: probe atom residue distance (Å) B Occ A:As904 b:49.5 occ:0.41 AS A:ART904 0.0 49.5 0.4 O4 A:ART904 1.6 84.5 0.4 O3 A:ART904 1.8 56.9 0.4 O2 A:ART904 1.8 29.6 0.4 O1 A:ART904 1.8 31.6 0.4 O1 A:ART904 1.9 23.1 0.6 O A:O912 2.0 30.5 0.6 AS A:ART904 2.5 29.2 0.6 HZ1 A:LYS198 2.7 34.8 1.0 O3 A:ART904 2.8 29.8 0.6 O4 A:ART904 2.9 33.5 0.6 O A:O906 3.1 32.2 0.8 HH A:TYR210 3.3 30.5 1.0 HH A:TYR166 3.3 31.3 1.0 HG A:SER190 3.4 36.0 1.0 HZ2 A:LYS198 3.4 34.8 1.0 NZ A:LYS198 3.5 29.0 1.0 O A:O907 3.6 28.5 0.5 O A:HOH1045 3.7 21.8 1.0 OG A:SER190 3.7 30.0 1.0 OH A:TYR166 3.9 26.1 1.0 HZ3 A:LYS198 3.9 34.8 1.0 HB3 A:SER190 4.0 35.7 1.0 OH A:TYR210 4.1 25.4 1.0 O A:HOH1038 4.1 44.7 1.0 O2 A:ART904 4.2 26.0 0.6 O A:HOH1142 4.3 25.4 1.0 OE2 A:GLU195 4.4 32.0 1.0 CB A:SER190 4.4 29.8 1.0 HA A:SER190 4.5 31.9 1.0 HE2 A:TYR210 4.5 29.0 1.0 HE3 A:LYS198 4.6 34.4 1.0 CE A:LYS198 4.6 28.6 1.0 O A:HOH1210 4.6 41.3 1.0 O A:HOH1386 4.7 36.5 1.0 HE1 A:TYR166 4.7 33.0 1.0 HE2 A:LYS198 4.8 34.4 1.0 CZ A:TYR210 4.9 27.5 1.0 CZ A:TYR166 5.0 28.9 1.0 CE2 A:TYR210 5.0 24.2 1.0

N.R.Glasser, P.H.Oyala, T.H.Osborne, J.M.Santini, D.K.Newman. Structural and Mechanistic Analysis of the Arsenate Respiratory Reductase Provides Insight Into Environmental Arsenic Transformations. Proc. Natl. Acad. Sci. V. 115 E8614 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30104376
DOI: 10.1073/PNAS.1807984115