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Molybdenum in PDB 6cz7: The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3

Protein crystallography data

The structure of The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3, PDB code: 6cz7 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) 46.91 / 1.62
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 231.259, 85.639, 146.676, 90.00, 127.84, 90.00
R / Rfree (%) 13.7 / 15.5

Other elements in 6cz7:

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

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 (pdb code 6cz7). 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, PDB code: 6cz7:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 6cz7

Go back to Molybdenum Binding Sites List in 6cz7
Molybdenum binding site 1 out of 2 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo904

b:22.9
occ:1.00
SG A:CYS193 2.2 21.0 1.0
O A:HOH1005 2.3 29.2 0.6
S13 A:MGD902 2.3 20.9 1.0
S13 A:MGD903 2.4 20.4 1.0
S12 A:MGD903 2.4 20.7 1.0
S12 A:MGD902 2.4 22.1 1.0
HA A:CYS193 3.1 26.8 1.0
CB A:CYS193 3.2 21.4 1.0
HB2 A:CYS193 3.2 25.7 1.0
C13 A:MGD902 3.3 18.6 1.0
C12 A:MGD902 3.4 19.8 1.0
C13 A:MGD903 3.4 19.0 1.0
C12 A:MGD903 3.5 21.5 1.0
HH22 A:ARG165 3.6 24.9 1.0
CA A:CYS193 3.6 22.3 1.0
O A:HOH1339 4.1 18.9 1.0
O A:HOH1297 4.1 18.4 1.0
HB3 A:CYS193 4.1 25.7 1.0
HD2 A:ARG374 4.2 25.0 1.0
HH21 A:ARG165 4.2 24.9 1.0
C A:CYS193 4.2 21.8 1.0
NH2 A:ARG165 4.2 20.7 1.0
O A:HOH1176 4.4 23.9 1.0
O A:CYS193 4.5 21.8 1.0
H15 A:MGD902 4.5 21.9 1.0
HG21 A:THR65 4.6 25.4 1.0
HG1 A:THR65 4.6 25.5 1.0
HZ3 A:LYS724 4.6 23.7 1.0
C11 A:MGD902 4.6 19.9 1.0
HB2 A:ALA194 4.7 26.0 1.0
OE1 A:GLU730 4.7 20.6 1.0
C14 A:MGD902 4.7 17.4 1.0
C11 A:MGD903 4.8 19.9 1.0
HE2 A:LYS724 4.8 24.4 1.0
HG23 A:THR65 4.8 25.4 1.0
C14 A:MGD903 4.8 20.4 1.0
O A:HOH1087 4.8 24.4 1.0
HH11 A:ARG374 4.9 26.2 1.0
HD3 A:ARG374 4.9 25.0 1.0
N A:CYS193 4.9 22.2 1.0
N A:ALA194 5.0 23.5 1.0
H11 A:MGD902 5.0 23.9 1.0
CD A:ARG374 5.0 20.8 1.0
N15 A:MGD902 5.0 18.3 1.0
H11 A:MGD903 5.0 23.9 1.0
HH21 A:ARG233 5.0 25.2 1.0

Molybdenum binding site 2 out of 2 in 6cz7

Go back to Molybdenum Binding Sites List in 6cz7
Molybdenum binding site 2 out of 2 in the The Arsenate Respiratory Reductase (Arr) Complex From Shewanella Sp. Ana-3


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo904

b:18.1
occ:1.00
SG C:CYS193 2.2 17.4 1.0
S13 C:MGD902 2.2 15.4 1.0
S13 C:MGD903 2.3 15.4 1.0
S12 C:MGD903 2.4 15.2 1.0
S12 C:MGD902 2.4 15.6 1.0
HA C:CYS193 3.1 19.9 1.0
CB C:CYS193 3.3 14.9 1.0
HB2 C:CYS193 3.3 17.9 1.0
C13 C:MGD902 3.3 14.7 1.0
C13 C:MGD903 3.4 14.6 1.0
C12 C:MGD902 3.4 14.0 1.0
HH22 C:ARG165 3.5 20.7 1.0
C12 C:MGD903 3.5 15.3 1.0
CA C:CYS193 3.7 16.6 1.0
O C:HOH1259 4.0 16.7 1.0
O C:HOH1414 4.1 15.5 1.0
HH21 C:ARG165 4.1 20.7 1.0
NH2 C:ARG165 4.1 17.2 1.0
HB3 C:CYS193 4.1 17.9 1.0
HD2 C:ARG374 4.2 19.2 1.0
C C:CYS193 4.2 16.2 1.0
O C:CYS193 4.5 16.5 1.0
H15 C:MGD902 4.5 17.1 1.0
O C:HOH1199 4.5 24.7 1.0
HZ3 C:LYS724 4.6 17.7 1.0
HG21 C:THR65 4.7 21.6 1.0
C14 C:MGD902 4.7 15.3 1.0
HG23 C:THR65 4.7 21.6 1.0
C11 C:MGD902 4.7 14.9 1.0
HB2 C:ALA194 4.7 20.9 1.0
O C:HOH1179 4.7 19.7 1.0
OE1 C:GLU730 4.7 15.5 1.0
C11 C:MGD903 4.7 15.4 1.0
HE2 C:LYS724 4.7 16.8 1.0
HG1 C:THR65 4.8 20.1 1.0
C14 C:MGD903 4.8 13.9 1.0
HH11 C:ARG374 4.8 18.2 1.0
H11 C:MGD903 4.9 18.5 1.0
N C:CYS193 5.0 17.5 1.0
N15 C:MGD902 5.0 14.2 1.0
HD3 C:ARG374 5.0 19.2 1.0
HH21 C:ARG233 5.0 18.0 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 05:20:15 2020

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