Strontium in PDB 6nhh: Rhodobacter Sphaeroides BC1 with Azoxystrobin

All present enzymatic activity of Rhodobacter Sphaeroides BC1 with Azoxystrobin:
1.10.2.2;

The structure of Rhodobacter Sphaeroides BC1 with Azoxystrobin, PDB code: 6nhh was solved by D.Xia, F.Zhou, C.A.Yu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.29 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.309, 154.655, 100.939, 90.00, 95.36, 90.00
R / Rfree (%)	26.4 / 28.2

The structure of Rhodobacter Sphaeroides BC1 with Azoxystrobin also contains other interesting chemical elements:

Iron

(Fe)

10 atoms

The binding sites of Strontium atom in the Rhodobacter Sphaeroides BC1 with Azoxystrobin (pdb code 6nhh). This binding sites where shown within 5.0 Angstroms radius around Strontium atom.
In total 3 binding sites of Strontium where determined in the Rhodobacter Sphaeroides BC1 with Azoxystrobin, PDB code: 6nhh:
Jump to Strontium binding site number: 1; 2; 3;

Strontium binding site 1 out of 3 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 1 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Sr1006 b:0.9 occ:1.00 HE22 A:GLN316 3.9 0.1 1.0 HE1 A:TRP313 4.1 0.3 1.0 HB2 A:ASP311 4.4 95.8 1.0 NE2 A:GLN316 4.7 92.5 1.0 NE1 A:TRP313 4.8 96.1 1.0 HD1 A:TRP313 5.0 0.5 1.0 O A:ASP311 5.0 80.4 1.0

Strontium binding site 2 out of 3 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 2 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Sr303 b:0.1 occ:1.00 OE1 B:GLU14 2.5 69.0 1.0 OE1 B:GLU129 2.6 63.7 1.0 OD1 B:ASP8 2.6 83.1 1.0 OE2 B:GLU14 2.6 67.5 1.0 OE2 B:GLU129 2.7 62.8 1.0 O B:VAL9 2.7 71.8 1.0 CD B:GLU129 2.9 63.0 1.0 CD B:GLU14 2.9 67.6 1.0 CG B:ASP8 3.4 83.5 1.0 C B:VAL9 3.7 72.7 1.0 H B:VAL9 3.8 89.0 1.0 OD2 B:ASP8 3.8 84.6 1.0 HA B:PRO10 3.9 90.9 1.0 H B:PHE11 3.9 82.9 1.0 N B:VAL9 4.0 74.1 1.0 HA B:ASP8 4.2 96.1 1.0 CG B:GLU129 4.2 62.6 1.0 HZ B:PHE110 4.3 76.3 1.0 HG2 B:GLU129 4.3 74.8 1.0 HD2 B:PHE11 4.3 75.0 1.0 C B:ASP8 4.3 78.4 1.0 CG B:GLU14 4.4 66.6 1.0 CA B:VAL9 4.5 71.6 1.0 N B:PRO10 4.5 75.7 1.0 CA B:ASP8 4.6 80.0 1.0 CB B:ASP8 4.6 82.3 1.0 CA B:PRO10 4.6 75.7 1.0 N B:PHE11 4.7 69.0 1.0 HG2 B:GLU14 4.7 80.0 1.0 HG3 B:GLU129 4.7 74.8 1.0 HB2 B:PHE11 4.8 77.1 1.0 HE2 B:PHE110 4.8 75.4 1.0 HB B:VAL9 4.9 83.3 1.0 HG3 B:GLU14 4.9 80.0 1.0 HB3 B:GLU14 4.9 80.2 1.0 HB3 B:GLU129 4.9 75.2 1.0 HB2 B:GLU14 5.0 80.2 1.0 O B:ASP8 5.0 81.3 1.0 HB2 B:ASP8 5.0 98.8 1.0

Strontium binding site 3 out of 3 in the Rhodobacter Sphaeroides BC1 with Azoxystrobin


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 3 of Rhodobacter Sphaeroides BC1 with Azoxystrobin within 5.0Å range: probe atom residue distance (Å) B Occ F:Sr304 b:0.8 occ:1.00 OE1 F:GLU129 2.6 78.3 1.0 OE1 F:GLU14 2.6 87.5 1.0 OE2 F:GLU14 2.6 86.9 1.0 O F:VAL9 2.6 91.5 1.0 OD1 F:ASP8 2.7 0.4 1.0 OE2 F:GLU129 2.7 77.8 1.0 CD F:GLU129 2.9 75.9 1.0 CD F:GLU14 2.9 85.8 1.0 CG F:ASP8 3.5 0.7 1.0 C F:VAL9 3.6 93.6 1.0 H F:VAL9 3.8 0.1 1.0 HA F:PRO10 3.8 0.7 1.0 H F:PHE11 3.8 0.6 1.0 OD2 F:ASP8 3.9 0.8 1.0 N F:VAL9 4.0 99.2 1.0 HA F:ASP8 4.2 0.0 1.0 CG F:GLU129 4.2 70.8 1.0 HG2 F:GLU129 4.3 85.0 1.0 HD2 F:PHE11 4.4 93.0 1.0 C F:ASP8 4.4 0.7 1.0 HZ F:PHE110 4.4 77.2 1.0 CG F:GLU14 4.4 82.4 1.0 N F:PRO10 4.4 95.2 1.0 CA F:VAL9 4.4 95.1 1.0 CA F:PRO10 4.5 93.8 1.0 CA F:ASP8 4.6 0.5 1.0 N F:PHE11 4.6 86.2 1.0 CB F:ASP8 4.6 0.6 1.0 HG2 F:GLU14 4.7 98.9 1.0 HG3 F:GLU129 4.7 85.0 1.0 HB2 F:PHE11 4.8 95.9 1.0 HE2 F:PHE110 4.8 75.7 1.0 HB F:VAL9 4.9 0.8 1.0 HG3 F:GLU14 4.9 98.9 1.0 HB3 F:GLU129 5.0 79.2 1.0 HB2 F:GLU14 5.0 95.6 1.0

L.Esser, F.Zhou, C.A.Yu, D.Xia. Crystal Structure of Bacterial CYTOCHROMEBC1IN Complex with Azoxystrobin Reveals A Conformational Switch of the Rieske Iron-Sulfur Protein Subunit. J.Biol.Chem. V. 294 12007 2019.
ISSN: ESSN 1083-351X
PubMed: 31182483
DOI: 10.1074/JBC.RA119.008381