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Molybdenum in PDB 4aay: Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26

Protein crystallography data

The structure of Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26, PDB code: 4aay was solved by M.Oke, J.M.Santini, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 141.87 / 2.70
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 149.130, 232.960, 141.870, 90.00, 90.00, 90.00
R / Rfree (%) 19.343 / 21.128

Other elements in 4aay:

The structure of Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 also contains other interesting chemical elements:

Iron (Fe) 20 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 (pdb code 4aay). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 4 binding sites of Molybdenum where determined in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26, PDB code: 4aay:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in 4aay

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Molybdenum binding site 1 out of 4 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo2004

b:53.3
occ:1.00
O A:O2003 1.8 55.4 1.0
S13 A:MGD2002 2.3 51.5 1.0
S12 A:MGD2002 2.4 52.0 1.0
S13 A:MGD2001 2.4 52.3 1.0
S12 A:MGD2001 2.4 52.2 1.0
C13 A:MGD2001 3.4 52.1 1.0
C13 A:MGD2002 3.4 51.6 1.0
C12 A:MGD2002 3.4 51.8 1.0
C12 A:MGD2001 3.4 52.4 1.0
NZ A:LYS413 3.5 44.5 1.0
NH2 A:ARG720 3.6 44.5 1.0
ND2 A:ASN200 4.0 44.3 1.0
CD2 A:HIS451 4.2 44.8 1.0
CA A:GLY450 4.5 45.1 1.0
CZ A:ARG720 4.7 44.5 1.0
N A:HIS451 4.7 45.1 1.0
C14 A:MGD2001 4.8 52.0 1.0
CE A:LYS413 4.8 44.5 1.0
NE2 A:HIS451 4.8 44.7 1.0
C14 A:MGD2002 4.8 51.6 1.0
CB A:ASN200 4.8 44.1 1.0
C11 A:MGD2002 4.8 51.8 1.0
NE2 A:HIS199 4.8 44.5 1.0
C11 A:MGD2001 4.9 52.6 1.0
CG A:ASN200 4.9 44.2 1.0
OE1 A:GLN726 5.0 44.6 1.0

Molybdenum binding site 2 out of 4 in 4aay

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Molybdenum binding site 2 out of 4 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mo2004

b:54.7
occ:1.00
O C:O2003 1.8 56.0 1.0
S13 C:MGD2001 2.3 52.5 1.0
S13 C:MGD2002 2.3 54.5 1.0
S12 C:MGD2001 2.3 52.8 1.0
S12 C:MGD2002 2.4 54.5 1.0
C13 C:MGD2002 3.2 54.8 1.0
C12 C:MGD2002 3.3 54.5 1.0
C13 C:MGD2001 3.3 52.7 1.0
C12 C:MGD2001 3.3 53.0 1.0
NZ C:LYS413 3.6 45.8 1.0
NH2 C:ARG720 3.6 45.3 1.0
ND2 C:ASN200 4.0 45.3 1.0
CD2 C:HIS451 4.3 45.3 1.0
CA C:GLY450 4.4 46.1 1.0
CZ C:ARG720 4.7 45.5 1.0
C14 C:MGD2002 4.7 55.1 1.0
C14 C:MGD2001 4.7 52.5 1.0
C11 C:MGD2002 4.7 54.1 1.0
N C:HIS451 4.7 45.9 1.0
C11 C:MGD2001 4.8 53.1 1.0
CE C:LYS413 4.8 45.9 1.0
CB C:ASN200 4.8 45.1 1.0
NE2 C:HIS451 4.9 45.2 1.0
NE2 C:HIS199 4.9 45.2 1.0
OE1 C:GLN726 4.9 45.2 1.0
CG C:ASN200 5.0 45.2 1.0
C C:GLY450 5.0 46.0 1.0

Molybdenum binding site 3 out of 4 in 4aay

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Molybdenum binding site 3 out of 4 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mo2004

b:57.0
occ:1.00
O E:O2003 1.9 57.9 1.0
S13 E:MGD2001 2.3 54.8 1.0
S12 E:MGD2002 2.3 57.3 1.0
S13 E:MGD2002 2.4 57.4 1.0
S12 E:MGD2001 2.4 54.6 1.0
C13 E:MGD2001 3.3 54.1 1.0
C12 E:MGD2001 3.3 54.2 1.0
C13 E:MGD2002 3.3 56.3 1.0
C12 E:MGD2002 3.3 56.5 1.0
NZ E:LYS413 3.5 46.7 1.0
NH2 E:ARG720 3.6 46.1 1.0
ND2 E:ASN200 3.9 46.1 1.0
CD2 E:HIS451 4.3 46.0 1.0
CA E:GLY450 4.5 48.0 1.0
C14 E:MGD2001 4.7 54.1 1.0
N E:HIS451 4.7 46.6 1.0
CZ E:ARG720 4.7 46.3 1.0
C14 E:MGD2002 4.8 56.7 1.0
C11 E:MGD2002 4.8 55.8 1.0
CB E:ASN200 4.8 45.8 1.0
C11 E:MGD2001 4.8 54.9 1.0
CE E:LYS413 4.8 46.9 1.0
NE2 E:HIS199 4.9 45.8 1.0
NE2 E:HIS451 4.9 45.8 1.0
CG E:ASN200 4.9 46.0 1.0

Molybdenum binding site 4 out of 4 in 4aay

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Molybdenum binding site 4 out of 4 in the Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Crystal Structure of the Arsenite Oxidase Protein Complex From Rhizobium Species Strain Nt-26 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mo2004

b:56.9
occ:1.00
O G:O2003 1.9 57.0 1.0
S13 G:MGD2001 2.3 54.4 1.0
S13 G:MGD2002 2.3 57.1 1.0
S12 G:MGD2002 2.3 56.8 1.0
S12 G:MGD2001 2.4 53.8 1.0
C13 G:MGD2001 3.3 53.6 1.0
C13 G:MGD2002 3.3 56.9 1.0
C12 G:MGD2001 3.3 53.8 1.0
C12 G:MGD2002 3.3 56.8 1.0
NH2 G:ARG720 3.6 46.2 1.0
NZ G:LYS413 3.6 46.6 1.0
ND2 G:ASN200 4.0 45.9 1.0
CD2 G:HIS451 4.2 46.3 1.0
CA G:GLY450 4.5 50.5 1.0
CZ G:ARG720 4.7 46.4 1.0
N G:HIS451 4.7 49.3 1.0
C14 G:MGD2001 4.7 53.1 1.0
C14 G:MGD2002 4.7 57.5 1.0
C11 G:MGD2002 4.8 56.9 1.0
C11 G:MGD2001 4.8 54.1 1.0
NE2 G:HIS451 4.8 46.0 1.0
CB G:ASN200 4.8 45.5 1.0
CE G:LYS413 4.9 46.8 1.0
NE2 G:HIS199 4.9 45.7 1.0
OE1 G:GLN726 4.9 46.1 1.0
CG G:ASN200 4.9 45.7 1.0
C G:GLY450 5.0 50.1 1.0

Reference:

T.P.Warelow, M.Oke, B.Schoepp-Cothenet, J.U.Dahl, N.Bruselat, G.N.Sivalingam, S.Leimkuhler, K.Thalassinos, U.Kappler, J.H.Naismith, J.M.Santini. The Respiratory Arsenite Oxidase: Structure and the Role of Residues Surrounding the Rieske Cluster. Plos One V. 8 72535 2013.
ISSN: ISSN 1932-6203
PubMed: 24023621
DOI: 10.1371/JOURNAL.PONE.0072535
Page generated: Tue Dec 15 05:18:44 2020

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