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Molybdenum 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:

Arsenic (As) 4 atoms
Iron (Fe) 40 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum 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 Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3 Bound to Arsenate, PDB code: 6cz8:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 6cz8

Go back to Molybdenum Binding Sites List in 6cz8
Molybdenum binding site 1 out of 2 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 Molybdenum with other atoms in the Mo 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:Mo905

b:21.5
occ:1.00
SG C:CYS193 2.3 19.3 1.0
S13 C:MGD902 2.3 18.3 1.0
S13 C:MGD903 2.4 17.5 1.0
S12 C:MGD903 2.4 17.9 1.0
S12 C:MGD902 2.5 19.0 1.0
HB2 C:CYS193 3.2 22.9 1.0
CB C:CYS193 3.3 19.1 1.0
HA C:CYS193 3.3 24.1 1.0
C13 C:MGD902 3.4 17.5 1.0
C12 C:MGD902 3.4 18.0 1.0
C13 C:MGD903 3.4 17.6 1.0
C12 C:MGD903 3.5 18.1 1.0
HH22 C:ARG165 3.5 22.9 1.0
CA C:CYS193 3.8 20.1 1.0
O C:HOH1012 4.0 19.1 1.0
O C:HOH1139 4.1 19.4 1.0
HH21 C:ARG165 4.1 22.9 1.0
HB3 C:CYS193 4.1 22.9 1.0
NH2 C:ARG165 4.2 19.1 1.0
HD2 C:ARG374 4.3 23.2 1.0
C C:CYS193 4.4 18.6 1.0
O C:O907 4.5 17.5 0.5
O3 C:ART904 4.6 24.7 0.5
HG21 C:THR65 4.6 24.1 1.0
H15 C:MGD902 4.6 20.6 1.0
OE1 C:GLU730 4.6 16.8 1.0
HG1 C:THR65 4.7 20.6 1.0
HG23 C:THR65 4.7 24.1 1.0
O C:CYS193 4.7 20.7 1.0
C14 C:MGD902 4.7 17.6 1.0
C11 C:MGD902 4.7 18.4 1.0
C11 C:MGD903 4.8 18.1 1.0
HZ1 C:LYS724 4.8 22.2 1.0
O C:O906 4.8 33.7 0.8
C14 C:MGD903 4.8 17.8 1.0
HB2 C:ALA194 4.9 20.7 1.0
HE2 C:LYS724 4.9 19.8 1.0
O1 C:ART904 4.9 19.9 0.5
HH21 C:ARG233 5.0 21.0 1.0
HH11 C:ARG374 5.0 20.5 1.0

Molybdenum binding site 2 out of 2 in 6cz8

Go back to Molybdenum Binding Sites List in 6cz8
Molybdenum binding site 2 out of 2 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 Molybdenum with other atoms in the Mo 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
A:Mo905

b:26.6
occ:1.00
SG A:CYS193 2.3 25.1 1.0
O A:HOH1012 2.3 39.5 1.0
S12 A:MGD903 2.4 23.3 1.0
S13 A:MGD902 2.4 24.4 1.0
S12 A:MGD902 2.4 24.8 1.0
S13 A:MGD903 2.5 23.7 1.0
HB2 A:CYS193 3.2 30.1 1.0
HA A:CYS193 3.3 29.7 1.0
CB A:CYS193 3.3 25.1 1.0
C13 A:MGD902 3.4 22.3 1.0
C12 A:MGD902 3.4 23.4 1.0
C13 A:MGD903 3.5 24.3 1.0
C12 A:MGD903 3.5 24.2 1.0
HH22 A:ARG165 3.6 27.4 1.0
CA A:CYS193 3.8 24.8 1.0
HB3 A:CYS193 4.1 30.1 1.0
O A:HOH1219 4.2 22.7 1.0
O A:HOH1250 4.2 21.2 1.0
HH21 A:ARG165 4.2 27.4 1.0
NH2 A:ARG165 4.2 22.8 1.0
HD2 A:ARG374 4.3 28.1 1.0
C A:CYS193 4.4 25.7 1.0
O2 A:ART904 4.4 26.0 0.6
H15 A:MGD902 4.6 25.3 1.0
HG1 A:THR65 4.6 26.4 1.0
OE1 A:GLU730 4.7 23.8 1.0
C11 A:MGD902 4.7 23.0 1.0
O A:CYS193 4.7 24.8 1.0
HG21 A:THR65 4.7 30.5 1.0
C11 A:MGD903 4.8 23.6 1.0
HG23 A:THR65 4.8 30.5 1.0
C14 A:MGD902 4.8 21.2 1.0
HB2 A:ALA194 4.8 32.8 1.0
HZ1 A:LYS724 4.8 27.8 1.0
C14 A:MGD903 4.8 25.1 1.0
HE2 A:LYS724 4.9 27.8 1.0
O3 A:ART904 4.9 29.8 0.6
H11 A:MGD903 4.9 28.3 1.0
H11 A:MGD902 5.0 27.6 1.0
HH11 A:ARG374 5.0 28.4 1.0
HH21 A:ARG233 5.0 26.0 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: Tue Dec 15 05:20:19 2020

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