Chlorine in PDB 4jxc: 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: 4jxc 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)	58.12 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.132, 78.729, 86.209, 90.00, 90.00, 90.00
R / Rfree (%)	12.1 / 16.6

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)

6 atoms

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

Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl413 b:2.6 occ:1.00 OG1 A:THR134 3.0 7.5 1.0 O A:HOH538 3.2 15.4 1.0 NH1 A:ARG155 3.3 6.7 1.0 NE A:ARG54 3.4 9.2 1.0 SD A:MET224 3.6 10.9 0.2 CD A:ARG155 3.7 7.3 1.0 CD A:ARG54 3.7 9.3 1.0 CB A:THR134 3.8 8.0 1.0 CG2 A:THR134 3.9 8.6 1.0 CG2 A:THR103 3.9 7.2 1.0 CZ A:ARG54 4.0 7.8 1.0 CG A:ARG54 4.0 9.3 1.0 CZ A:ARG155 4.3 7.1 1.0 O A:HOH764 4.3 34.6 1.0 NH2 A:ARG54 4.3 10.2 1.0 NE A:ARG155 4.4 9.2 1.0 CE A:MET224 4.5 12.0 0.8 CG2 A:VAL105 4.5 8.1 1.0 CB A:ARG54 4.6 8.5 1.0 CD2 A:LEU157 4.6 19.7 1.0 CG A:ARG155 4.6 7.7 1.0 CB A:ARG155 4.7 6.3 1.0 NH1 A:ARG54 4.7 8.1 1.0 CE A:MET224 4.9 11.0 0.2 CB A:THR103 4.9 7.1 1.0 OG1 A:THR103 5.0 6.7 1.0

Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl 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:Cl414 b:6.4 occ:1.00 O A:HOH822 2.4 44.3 1.0 OH A:TYR306 3.3 16.8 1.0 N A:ALA270 3.4 11.3 1.0 NH2 A:ARG159 3.5 21.1 0.5 N A:THR269 3.7 11.8 1.0 CB A:THR268 3.9 8.5 1.0 CB A:ALA270 3.9 10.4 1.0 NH2 A:ARG159 3.9 22.3 0.5 O A:HOH766 3.9 36.0 1.0 CB A:THR269 4.0 16.6 1.0 O A:HOH528 4.1 23.7 1.0 CA A:THR269 4.2 14.2 1.0 CE2 A:TYR306 4.2 13.5 1.0 CZ A:TYR306 4.2 14.4 1.0 C A:THR269 4.2 12.5 1.0 CA A:ALA270 4.2 9.2 1.0 C A:THR268 4.4 10.9 1.0 O A:HOH726 4.4 46.1 1.0 O A:HOH765 4.4 32.8 1.0 OG1 A:THR268 4.4 10.1 1.0 CZ A:ARG159 4.5 18.9 0.5 NH1 A:ARG159 4.6 17.4 0.5 CA A:THR268 4.6 11.3 1.0 CG2 A:THR268 4.7 8.8 1.0 OG1 A:THR269 4.7 21.4 1.0 CZ A:ARG159 4.8 21.8 0.5

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