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

Protein crystallography data

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

Other elements in 6cz8:

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

Arsenic Binding Sites:

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 6cz8

Go back to Arsenic Binding Sites List in 6cz8
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 6cz8

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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 6cz8

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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 6cz8

Go back to Arsenic Binding Sites List in 6cz8
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

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: Wed Jul 10 13:14:47 2024

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