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Arsenic in PDB 6cz9: The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite

Protein crystallography data

The structure of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite, PDB code: 6cz9 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) 39.37 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 232.512, 86.306, 147.367, 90.00, 127.72, 90.00
R / Rfree (%) 14.2 / 16.9

Other elements in 6cz9:

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

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

Arsenic Binding Sites:

The binding sites of Arsenic atom in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite (pdb code 6cz9). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite, PDB code: 6cz9:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 6cz9

Go back to Arsenic Binding Sites List in 6cz9
Arsenic binding site 1 out of 2 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite


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 Arsenite within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As905

b:35.1
occ:0.58
AS A:AST905 0.0 35.1 0.6
O1 A:AST905 1.8 25.0 0.6
O2 A:AST905 1.8 25.1 0.6
O3 A:AST905 1.8 20.3 0.6
SG A:CYS193 3.0 27.4 1.0
HH12 A:ARG165 3.2 31.2 1.0
HH22 A:ARG165 3.2 27.9 1.0
HB2 A:CYS193 3.3 27.1 1.0
HH A:TYR210 3.4 37.0 1.0
NE2 A:HIS189 3.5 28.2 1.0
CB A:CYS193 3.5 22.5 1.0
HB3 A:CYS193 3.5 27.1 1.0
HG21 A:THR65 3.6 28.4 1.0
O A:HOH1051 3.7 37.6 1.0
MO A:MO904 3.8 28.3 1.0
HD2 A:HIS189 3.9 37.7 1.0
NH1 A:ARG165 4.0 26.0 1.0
NH2 A:ARG165 4.0 23.3 1.0
O A:HOH1330 4.0 24.3 1.0
HA A:SER190 4.0 35.8 1.0
HH A:TYR166 4.0 40.9 1.0
OH A:TYR210 4.1 30.8 1.0
CD2 A:HIS189 4.1 31.4 1.0
S12 A:MGD903 4.3 24.5 1.0
HE1 A:TYR166 4.4 34.8 1.0
O A:HOH1153 4.4 28.7 1.0
O A:HOH1149 4.4 24.7 1.0
CZ A:ARG165 4.4 22.0 1.0
CG2 A:THR65 4.5 23.7 1.0
CE1 A:HIS189 4.6 28.4 1.0
O A:HOH1275 4.6 36.5 1.0
HH11 A:ARG165 4.6 31.2 1.0
HH21 A:ARG165 4.6 27.9 1.0
HG22 A:THR65 4.7 28.4 1.0
HG23 A:THR65 4.7 28.4 1.0
HE1 A:HIS189 4.8 34.1 1.0
OH A:TYR166 4.8 34.0 1.0
HE2 A:TYR210 4.9 29.9 1.0
S13 A:MGD902 5.0 24.6 1.0
CA A:SER190 5.0 29.9 1.0

Arsenic binding site 2 out of 2 in 6cz9

Go back to Arsenic Binding Sites List in 6cz9
Arsenic binding site 2 out of 2 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenite


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 Arsenite within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As905

b:66.9
occ:0.63
AS C:AST905 0.0 66.9 0.6
O3 C:AST905 1.8 31.7 0.6
O2 C:AST905 1.8 26.3 0.6
O1 C:AST905 1.8 19.2 0.6
O C:HOH1594 2.7 31.8 1.0
HH12 C:ARG165 2.9 24.4 1.0
SG C:CYS193 3.0 24.6 1.0
HH22 C:ARG165 3.1 24.4 1.0
HG21 C:THR65 3.2 25.5 1.0
HH C:TYR210 3.3 32.8 1.0
O C:HOH1041 3.4 38.4 1.0
HB2 C:CYS193 3.6 24.8 1.0
NE2 C:HIS189 3.7 21.2 1.0
O C:HOH1146 3.7 23.7 1.0
NH1 C:ARG165 3.7 20.4 1.0
CB C:CYS193 3.8 20.7 1.0
MO C:MO904 3.8 24.0 1.0
HB3 C:CYS193 3.8 24.8 1.0
NH2 C:ARG165 3.9 20.4 1.0
HH C:TYR166 3.9 35.1 1.0
OH C:TYR210 4.0 27.3 1.0
CG2 C:THR65 4.1 21.2 1.0
CZ C:ARG165 4.3 21.4 1.0
HD2 C:HIS189 4.3 24.5 1.0
HG23 C:THR65 4.3 25.5 1.0
HG22 C:THR65 4.3 25.5 1.0
HH11 C:ARG165 4.4 24.4 1.0
CD2 C:HIS189 4.4 20.4 1.0
HE1 C:TYR166 4.4 33.3 1.0
S12 C:MGD903 4.4 20.3 1.0
O C:HOH1062 4.4 23.0 1.0
HA C:SER190 4.5 30.2 1.0
HH21 C:ARG165 4.6 24.4 1.0
O C:HOH1368 4.6 33.4 1.0
OH C:TYR166 4.6 29.3 1.0
HE2 C:TYR210 4.6 30.7 1.0
HG1 C:THR65 4.7 25.9 1.0
CE1 C:HIS189 4.7 27.0 1.0
S13 C:MGD902 4.7 20.5 1.0
O C:HOH1245 4.7 22.9 1.0
HE1 C:HIS189 4.8 32.5 1.0
S12 C:MGD902 5.0 20.4 1.0

Reference:

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
Page generated: Sat Dec 12 01:48:39 2020

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