Chlorine in PDB 4jy8: 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: 4jy8 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)	43.24 / 2.90
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	82.430, 82.430, 217.340, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 24.1

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)

8 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 4jy8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 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: 4jy8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine 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 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:Cl404 b:0.9 occ:1.00 S A:H2S403 2.6 0.0 1.0 CL A:CL407 3.6 0.5 1.0 FE2 A:SF4401 3.7 90.5 1.0 S3 A:SF4401 4.5 77.3 1.0 S1 A:SF4401 4.6 65.7 1.0 OG A:SER136 4.8 90.7 1.0 O A:SER108 4.8 70.0 1.0 OE1 A:GLN107 4.8 93.6 1.0 CD A:GLN107 5.0 89.9 1.0

Chlorine 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 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:Cl405 b:99.1 occ:1.00 NH2 A:ARG159 3.4 0.9 1.0 N A:THR269 3.6 85.0 1.0 N A:ALA270 3.7 70.0 1.0 CB A:THR268 3.8 59.5 1.0 CB A:THR269 4.0 69.6 1.0 CL A:CL406 4.2 1.0 1.0 CA A:THR269 4.2 74.3 1.0 CB A:ALA270 4.3 70.8 1.0 CZ A:ARG159 4.4 0.3 1.0 C A:THR268 4.4 50.8 1.0 C A:THR269 4.4 70.0 1.0 CA A:THR268 4.4 48.0 1.0 NH1 A:ARG159 4.5 0.1 1.0 CG2 A:THR268 4.5 53.7 1.0 OG1 A:THR268 4.6 62.6 1.0 OG1 A:THR269 4.6 88.3 1.0 CA A:ALA270 4.7 70.8 1.0

Chlorine 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 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:Cl406 b:1.0 occ:1.00 OE1 A:GLU58 3.6 98.4 1.0 NE2 A:GLN107 3.7 88.0 1.0 CD1 A:ILE56 4.1 66.3 1.0 CL A:CL405 4.2 99.1 1.0 CD A:GLU58 4.5 0.3 1.0 CD A:GLN107 4.7 89.9 1.0 OE1 A:GLN107 4.9 93.6 1.0

Chlorine 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 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:Cl407 b:0.5 occ:1.00 OE2 A:GLU58 3.5 0.6 1.0 CL A:CL404 3.6 0.9 1.0 CD1 A:LEU72 3.7 71.9 1.0 O A:SER108 3.9 70.0 1.0 C A:SER108 4.0 67.8 1.0 CG A:GLN107 4.1 84.3 1.0 NE2 A:GLN107 4.2 88.0 1.0 N A:GLY109 4.2 65.0 1.0 CD A:GLN107 4.2 89.9 1.0 S1 A:SF4401 4.4 65.7 1.0 CA A:SER108 4.6 66.7 1.0 CD A:GLU58 4.6 0.3 1.0 CG A:LEU72 4.7 70.7 1.0 N A:SER108 4.7 68.6 1.0 CA A:GLY109 4.9 65.5 1.0 OE1 A:GLU58 4.9 98.4 1.0 OE1 A:GLN107 4.9 93.6 1.0 S A:H2S403 5.0 0.0 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl408 b:74.7 occ:1.00 OG1 A:THR134 3.0 77.1 1.0 NH1 A:ARG155 3.1 65.3 1.0 NE A:ARG54 3.2 68.9 1.0 CD A:ARG54 3.4 65.8 1.0 CD A:ARG155 3.6 65.8 1.0 CZ A:ARG54 3.7 71.7 1.0 CG2 A:THR103 3.8 75.1 1.0 CG A:ARG54 3.8 65.8 1.0 CB A:THR134 3.9 71.0 1.0 SD A:MET224 4.0 69.1 0.4 CG2 A:THR134 4.1 64.4 1.0 CZ A:ARG155 4.1 79.5 1.0 NH1 A:ARG54 4.2 68.4 1.0 NE A:ARG155 4.2 75.4 1.0 NH2 A:ARG54 4.3 66.2 1.0 CB A:ARG54 4.4 65.5 1.0 CE A:MET291 4.5 71.0 0.7 CE A:MET291 4.5 71.2 0.3 CG A:ARG155 4.6 66.4 1.0 CE A:MET224 4.6 62.8 0.6 CG2 A:VAL105 4.6 68.9 1.0 CB A:ARG155 4.7 67.3 1.0 CB A:THR103 4.7 82.2 1.0 OG1 A:THR103 4.8 89.8 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