Bromine in PDB 4jye: X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters.

The structure of X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters., PDB code: 4jye was solved by Y.Nicolet, R.Rohac, L.Martin, J.C.Fontecilla-Camps, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.30 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.196, 79.899, 86.594, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 19.2

The structure of X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters. also contains other interesting chemical elements:

Iron

(Fe)

7 atoms

The binding sites of Bromine atom in the X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters. (pdb code 4jye). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters., PDB code: 4jye:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br409 b:18.1 occ:0.90 OG1 A:THR134 3.2 10.9 1.0 O A:HOH539 3.3 15.5 1.0 NH1 A:ARG155 3.5 11.4 1.0 NE A:ARG54 3.6 12.0 1.0 CD A:ARG54 3.8 11.7 1.0 SD A:MET224 3.9 15.7 0.6 CD A:ARG155 3.9 11.6 1.0 CG2 A:THR134 3.9 9.2 1.0 CG A:ARG54 3.9 10.3 1.0 CB A:THR134 4.0 9.1 1.0 CG2 A:THR103 4.0 10.1 1.0 CZ A:ARG54 4.2 11.9 1.0 CE A:MET291 4.4 11.2 0.5 CG2 A:VAL105 4.4 11.3 1.0 CZ A:ARG155 4.4 10.2 1.0 CB A:ARG54 4.5 10.7 1.0 CE A:MET224 4.5 8.3 0.4 NH2 A:ARG54 4.5 13.3 1.0 O A:HOH741 4.6 31.3 1.0 NE A:ARG155 4.6 11.1 1.0 CD2 A:LEU157 4.7 15.7 1.0 CG A:ARG155 4.8 11.3 1.0 CB A:ARG155 4.9 11.0 1.0 NH1 A:ARG54 4.9 11.1 1.0

Bromine binding site 2 out of 5 in the X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br410 b:23.2 occ:0.50 O A:HOH817 2.9 24.6 0.5 O A:HOH818 3.1 24.7 1.0 O A:HOH801 3.2 24.9 1.0 O A:HOH529 3.4 17.9 1.0 N A:ALA270 3.5 13.7 1.0 NH2 A:ARG159 3.5 17.0 1.0 CB A:ALA270 3.7 13.7 1.0 OH A:TYR306 3.7 24.1 1.0 CB A:THR268 3.7 11.5 1.0 N A:THR269 4.0 13.0 1.0 CE2 A:TYR306 4.1 17.5 1.0 OG1 A:THR268 4.1 12.2 1.0 CA A:ALA270 4.2 13.1 1.0 CZ A:TYR306 4.3 19.5 1.0 NH1 A:ARG159 4.4 18.7 1.0 CZ A:ARG159 4.4 17.0 1.0 C A:THR269 4.4 13.6 1.0 CG2 A:THR268 4.5 12.1 1.0 CA A:THR269 4.5 14.5 1.0 CB A:THR269 4.6 15.6 1.0 C A:THR268 4.6 12.1 1.0 CA A:THR268 4.7 11.7 1.0 O A:HOH743 4.7 31.6 1.0 O A:HOH742 4.8 25.9 1.0 O A:HOH710 4.9 18.9 1.0

Bromine binding site 3 out of 5 in the X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br411 b:21.8 occ:0.50 O A:HOH635 3.1 17.1 1.0 O A:HOH816 3.3 32.9 1.0 CG A:PRO266 3.4 11.2 0.5 O A:HOH697 3.4 14.8 1.0 NH2 A:ARG159 3.5 17.0 1.0 SD A:MET291 3.8 24.4 0.5 CG A:PRO266 3.8 9.0 0.5 CG2 A:THR268 3.9 12.1 1.0 CA A:GLY226 3.9 12.6 1.0 CE A:MET291 4.1 11.2 0.5 O A:HOH710 4.1 18.9 1.0 CB A:PRO266 4.1 10.0 0.5 CB A:PRO266 4.1 9.5 0.5 NE A:ARG159 4.3 16.1 1.0 CZ A:ARG159 4.4 17.0 1.0 O A:HOH818 4.4 24.7 1.0 CE A:MET291 4.6 23.9 0.5 CD A:PRO266 4.6 10.2 0.5 CD A:PRO266 4.7 9.6 0.5 CD1 A:LEU157 4.7 13.4 1.0 O A:HOH532 4.7 13.3 1.0 SD A:MET291 4.7 16.0 0.5 C A:GLY226 4.9 12.9 1.0 N A:GLY226 4.9 12.6 1.0

Bromine binding site 4 out of 5 in the X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br412 b:25.9 occ:0.50 O A:HOH583 2.6 36.1 1.0 O A:HOH566 3.0 33.3 1.0 NH1 A:ARG64 3.3 16.0 1.0 CD A:PRO141 3.7 15.2 1.0 CE3 A:TRP140 3.8 12.5 1.0 CG A:PRO141 4.0 16.0 1.0 CZ3 A:TRP140 4.0 11.7 1.0 NH2 A:ARG64 4.0 14.8 1.0 CZ A:ARG64 4.1 14.9 1.0 O A:HOH744 4.5 46.6 1.0 O A:HOH856 4.9 47.4 1.0 CE2 A:TYR144 4.9 14.6 1.0 N A:PRO141 5.0 15.0 1.0 CD2 A:TRP140 5.0 11.7 1.0 OH A:TYR144 5.0 18.0 1.0

Bromine binding site 5 out of 5 in the X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br413 b:20.2 occ:0.25 O A:HOH872 3.0 40.5 1.0 O A:HOH711 3.1 33.5 1.0 CD2 A:LEU95 4.2 12.3 1.0 CD1 A:LEU95 4.2 12.3 1.0 CG A:LEU95 4.8 10.3 1.0

Y.Nicolet, R.Rohac, L.Martin, J.C.Fontecilla-Camps. X-Ray Snapshots of Possible Intermediates in the Time Course of Synthesis and Degradation of Protein-Bound FE4S4 Clusters. Proc.Natl.Acad.Sci.Usa V. 110 7188 2013.
ISSN: ISSN 0027-8424
PubMed: 23596207
DOI: 10.1073/PNAS.1302388110