Chlorine in PDB 4jyf: 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: 4jyf 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 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.641, 78.762, 86.088, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 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)

4 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 4jyf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 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: 4jyf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 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:Cl409 b:0.5 occ:0.30 CL A:CL409 0.0 0.5 0.3 O A:HOH823 1.1 15.2 0.3 CL A:CL409 1.4 3.6 0.7 O A:HOH808 2.7 36.9 1.0 OH A:TYR306 2.8 20.0 1.0 O A:HOH809 3.2 29.0 1.0 CE2 A:TYR306 3.5 17.2 1.0 CZ A:TYR306 3.6 17.9 1.0 N A:ALA270 3.7 12.5 1.0 CB A:THR269 3.8 15.1 1.0 O A:HOH823 3.9 12.4 0.5 N A:THR269 4.2 12.8 1.0 CB A:ALA270 4.3 13.3 1.0 CA A:THR269 4.3 14.2 1.0 C A:THR269 4.4 13.4 1.0 O A:HOH749 4.5 21.2 1.0 CA A:ALA270 4.5 12.9 1.0 O A:HOH719 4.5 38.0 1.0 OG1 A:THR269 4.6 18.1 1.0 O A:HOH537 4.7 16.9 1.0 CG2 A:THR269 4.8 17.4 1.0 CD2 A:TYR306 4.8 17.1 1.0 CB A:THR268 4.9 12.0 1.0 CE1 A:TYR306 4.9 17.8 1.0 NH2 A:ARG159 4.9 17.5 1.0 CD1 A:LEU305 5.0 18.5 1.0

Chlorine binding site 2 out of 4 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:Cl409 b:3.6 occ:0.70 CL A:CL409 0.0 3.6 0.7 CL A:CL409 1.4 0.5 0.3 O A:HOH823 2.5 15.2 0.3 O A:HOH823 2.5 12.4 0.5 O A:HOH808 3.1 36.9 1.0 N A:ALA270 3.2 12.5 1.0 OH A:TYR306 3.4 20.0 1.0 CB A:ALA270 3.5 13.3 1.0 CB A:THR268 3.7 12.0 1.0 N A:THR269 3.7 12.8 1.0 CA A:ALA270 3.9 12.9 1.0 NH2 A:ARG159 4.0 17.5 1.0 OG1 A:THR268 4.1 13.3 1.0 CE2 A:TYR306 4.1 17.2 1.0 C A:THR269 4.1 13.4 1.0 O A:HOH528 4.1 20.6 1.0 CA A:THR269 4.2 14.2 1.0 CB A:THR269 4.2 15.1 1.0 CZ A:TYR306 4.2 17.9 1.0 C A:THR268 4.3 12.1 1.0 O A:HOH749 4.4 21.2 1.0 CG2 A:THR268 4.5 13.5 1.0 CA A:THR268 4.5 12.0 1.0 O A:HOH809 4.6 29.0 1.0 O A:HOH719 4.7 38.0 1.0 CZ A:ARG159 4.8 17.9 1.0 NH1 A:ARG159 4.9 18.0 1.0

Chlorine binding site 3 out of 4 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 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:Cl410 b:3.7 occ:1.00 OG1 A:THR134 3.1 11.2 1.0 O A:HOH538 3.2 14.8 1.0 NH1 A:ARG155 3.3 11.3 1.0 NE A:ARG54 3.5 13.6 1.0 CD A:ARG54 3.7 12.3 1.0 CD A:ARG155 3.8 11.6 1.0 CB A:THR134 3.9 10.3 1.0 CG2 A:THR103 3.9 10.6 1.0 SD A:MET224 3.9 13.9 0.6 CG A:ARG54 3.9 10.7 1.0 CG2 A:THR134 3.9 11.2 1.0 CZ A:ARG54 4.0 11.8 1.0 CZ A:ARG155 4.3 12.6 1.0 O A:HOH748 4.3 28.9 1.0 NH2 A:ARG54 4.4 12.9 1.0 NE A:ARG155 4.4 12.6 1.0 CG2 A:VAL105 4.4 12.2 1.0 CB A:ARG54 4.5 11.7 1.0 CE A:MET224 4.6 14.0 0.4 CE A:MET291 4.6 13.6 0.6 NH1 A:ARG54 4.7 12.0 1.0 CG A:ARG155 4.7 11.1 1.0 CD2 A:LEU157 4.8 16.2 1.0 CB A:ARG155 4.8 10.5 1.0 CB A:THR103 4.9 11.1 1.0 OG1 A:THR103 4.9 11.4 1.0

Chlorine binding site 4 out of 4 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 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:Cl411 b:9.9 occ:0.50 O A:HOH822 2.7 28.9 1.0 O A:HOH638 2.7 18.9 1.0 O A:HOH705 3.2 19.8 1.0 NH2 A:ARG159 3.3 17.5 1.0 O A:HOH719 3.7 38.0 1.0 CG A:PRO266 3.7 10.2 0.5 CA A:GLY226 3.9 11.4 1.0 NE A:ARG159 4.0 16.6 1.0 SD A:MET291 4.0 19.3 0.4 CG A:PRO266 4.0 10.9 0.5 CG2 A:THR268 4.1 13.5 1.0 CZ A:ARG159 4.1 17.9 1.0 CE A:MET291 4.2 13.6 0.6 CB A:PRO266 4.5 10.2 0.5 CB A:PRO266 4.5 10.5 0.5 O A:HOH531 4.5 16.4 1.0 CE A:MET291 4.6 19.2 0.4 SD A:MET291 4.7 14.8 0.6 CD1 A:LEU157 4.7 16.6 1.0 CD A:PRO266 4.8 10.7 0.5 C A:GLY226 4.8 11.7 1.0 CD A:PRO266 4.8 10.9 0.5 N A:GLY226 4.8 11.0 1.0 O A:HOH748 4.9 28.9 1.0 O A:HOH749 4.9 21.2 1.0 O A:HOH600 5.0 15.9 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